1-cyclopropyl-N-[[2-[5-isoquinolin-4-yl-1-[(4-methoxyphenyl)methyl]indazol-3-yl]-1H-benzimidazol-4-yl]methyl]methanamine;cyclopropylmethanamine;3-[[2-(5-isoquinolin-4-yl-1H-indazol-3-yl)-1H-benzimidazol-4-yl]methylamino]-2-methylpropan-1-ol;[2-[5-isoquinolin-4-yl-1-[(4-methoxyphenyl)methyl]indazol-3-yl]-1H-benzimidazol-4-yl]methanol

C100H92N18O4 — CID 158249567

IUPAC1-cyclopropyl-N-[[2-[5-isoquinolin-4-yl-1-[(4-methoxyphenyl)methyl]indazol-3-yl]-1H-benzimidazol-4-yl]methyl]methanamine;cyclopropylmethanamine;3-[[2-(5-isoquinolin-4-yl-1H-indazol-3-yl)-1H-benzimidazol-4-yl]methylamino]-2-methylpropan-1-ol;[2-[5-isoquinolin-4-yl-1-[(4-methoxyphenyl)methyl]indazol-3-yl]-1H-benzimidazol-4-yl]methanol
SMILESCC(CO)CNCc1cccc2[nH]c(-c3n[nH]c4ccc(-c5cncc6ccccc56)cc34)nc12.COc1ccc(Cn2nc(-c3nc4c(CNCC5CC5)cccc4[nH]3)c3cc(-c4cncc5ccccc45)ccc32)cc1.COc1ccc(Cn2nc(-c3nc4c(CO)cccc4[nH]3)c3cc(-c4cncc5ccccc45)ccc32)cc1.NCC1CC1
InChIInChI=1S/C36H32N6O.C32H25N5O2.C28H26N6O.C4H9N/c1-43-28-14-11-24(12-15-28)22-42-33-16-13-25(31-21-38-19-26-5-2-3-7-29(26)31)17-30(33)35(41-42)36-39-32-8-4-6-27(34(32)40-36)20-37-18-23-9-10-23;1-39-24-12-9-20(10-13-24)18-37-29-14-11-21(27-17-33-16-22-5-2-3-7-25(22)27)15-26(29)31(36-37)32-34-28-8-4-6-23(19-38)30(28)35-32;1-17(16-35)12-29-14-20-6-4-8-25-26(20)32-28(31-25)27-22-11-18(9-10-24(22)33-34-27)23-15-30-13-19-5-2-3-7-21(19)23;5-3-4-1-2-4/h2-8,11-17,19,21,23,37H,9-10,18,20,22H2,1H3,(H,39,40);2-17,38H,18-19H2,1H3,(H,34,35);2-11,13,15,17,29,35H,12,14,16H2,1H3,(H,31,32)(H,33,34);4H,1-3,5H2
InChIKeyGGNVIFHJGCPHAW-UHFFFAOYSA-N
MW1609.96 g/mol
LogP19.09
Rot. Bonds23

About 1-cyclopropyl-N-[[2-[5-isoquinolin-4-yl-1-[(4-methoxyphenyl)methyl]indazol-3-yl]-1H-benzimidazol-4-yl]methyl]methanamine;cyclopropylmethanamine;3-[[2-(5-isoquinolin-4-yl-1H-indazol-3-yl)-1H-benzimidazol-4-yl]methylamino]-2-methylpropan-1-ol;[2-[5-isoquinolin-4-yl-1-[(4-methoxyphenyl)methyl]indazol-3-yl]-1H-benzimidazol-4-yl]methanol

1-cyclopropyl-N-[[2-[5-isoquinolin-4-yl-1-[(4-methoxyphenyl)methyl]indazol-3-yl]-1H-benzimidazol-4-yl]methyl]methanamine;cyclopropylmethanamine;3-[[2-(5-isoquinolin-4-yl-1H-indazol-3-yl)-1H-benzimidazol-4-yl]methylamino]-2-methylpropan-1-ol;[2-[5-isoquinolin-4-yl-1-[(4-methoxyphenyl)methyl]indazol-3-yl]-1H-benzimidazol-4-yl]methanol (PubChem CID 158249567) has the molecular formula C100H92N18O4 and a molecular weight of 1609.96 g/mol. Its IUPAC name is 1-cyclopropyl-N-[[2-[5-isoquinolin-4-yl-1-[(4-methoxyphenyl)methyl]indazol-3-yl]-1H-benzimidazol-4-yl]methyl]methanamine;cyclopropylmethanamine;3-[[2-(5-isoquinolin-4-yl-1H-indazol-3-yl)-1H-benzimidazol-4-yl]methylamino]-2-methylpropan-1-ol;[2-[5-isoquinolin-4-yl-1-[(4-methoxyphenyl)methyl]indazol-3-yl]-1H-benzimidazol-4-yl]methanol.

Molecular Properties

Compound Name1-cyclopropyl-N-[[2-[5-isoquinolin-4-yl-1-[(4-methoxyphenyl)methyl]indazol-3-yl]-1H-benzimidazol-4-yl]methyl]methanamine;cyclopropylmethanamine;3-[[2-(5-isoquinolin-4-yl-1H-indazol-3-yl)-1H-benzimidazol-4-yl]methylamino]-2-methylpropan-1-ol;[2-[5-isoquinolin-4-yl-1-[(4-methoxyphenyl)methyl]indazol-3-yl]-1H-benzimidazol-4-yl]methanol
PubChem CID158249567
Molecular FormulaC100H92N18O4
Molecular Weight1609.96 g/mol
Exact Mass1608.75
IUPAC Name1-cyclopropyl-N-[[2-[5-isoquinolin-4-yl-1-[(4-methoxyphenyl)methyl]indazol-3-yl]-1H-benzimidazol-4-yl]methyl]methanamine;cyclopropylmethanamine;3-[[2-(5-isoquinolin-4-yl-1H-indazol-3-yl)-1H-benzimidazol-4-yl]methylamino]-2-methylpropan-1-ol;[2-[5-isoquinolin-4-yl-1-[(4-methoxyphenyl)methyl]indazol-3-yl]-1H-benzimidazol-4-yl]methanol
SMILESCC(CO)CNCc1cccc2[nH]c(-c3n[nH]c4ccc(-c5cncc6ccccc56)cc34)nc12.COc1ccc(Cn2nc(-c3nc4c(CNCC5CC5)cccc4[nH]3)c3cc(-c4cncc5ccccc45)ccc32)cc1.COc1ccc(Cn2nc(-c3nc4c(CO)cccc4[nH]3)c3cc(-c4cncc5ccccc45)ccc32)cc1.NCC1CC1
InChIInChI=1S/C36H32N6O.C32H25N5O2.C28H26N6O.C4H9N/c1-43-28-14-11-24(12-15-28)22-42-33-16-13-25(31-21-38-19-26-5-2-3-7-29(26)31)17-30(33)35(41-42)36-39-32-8-4-6-27(34(32)40-36)20-37-18-23-9-10-23;1-39-24-12-9-20(10-13-24)18-37-29-14-11-21(27-17-33-16-22-5-2-3-7-25(22)27)15-26(29)31(36-37)32-34-28-8-4-6-23(19-38)30(28)35-32;1-17(16-35)12-29-14-20-6-4-8-25-26(20)32-28(31-25)27-22-11-18(9-10-24(22)33-34-27)23-15-30-13-19-5-2-3-7-21(19)23;5-3-4-1-2-4/h2-8,11-17,19,21,23,37H,9-10,18,20,22H2,1H3,(H,39,40);2-17,38H,18-19H2,1H3,(H,34,35);2-11,13,15,17,29,35H,12,14,16H2,1H3,(H,31,32)(H,33,34);4H,1-3,5H2
InChIKeyGGNVIFHJGCPHAW-UHFFFAOYSA-N
XLogP19.09
TPSA298.03 Ų
H-Bond Donors9
H-Bond Acceptors18
Rotatable Bonds23
Heavy Atoms122
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001609.96
LogP ≤ 519.09
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1018

Analyze 1-cyclopropyl-N-[[2-[5-isoquinolin-4-yl-1-[(4-methoxyphenyl)methyl]indazol-3-yl]-1H-benzimidazol-4-yl]methyl]methanamine;cyclopropylmethanamine;3-[[2-(5-isoquinolin-4-yl-1H-indazol-3-yl)-1H-benzimidazol-4-yl]methylamino]-2-methylpropan-1-ol;[2-[5-isoquinolin-4-yl-1-[(4-methoxyphenyl)methyl]indazol-3-yl]-1H-benzimidazol-4-yl]methanol with MolForge

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Related Compounds

1H-imidazole;4-[3-[4-(imidazol-1-ylmethyl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]isoquinoline;4-[3-[4-(imidazol-1-ylmethyl)-1H-benzimidazol-2-yl]-1-[(4-methoxyphenyl)methyl]indazol-5-yl]isoquinoline;[2-[5-isoquinolin-4-yl-1-[(4-methoxyphenyl)methyl]indazol-3-yl]-1H-benzimidazol-4-yl]methanol
CID 161476772
4-[1-[(4-methoxyphenyl)methyl]-3-[4-(pyrrolidin-1-ylmethyl)-1H-benzimidazol-2-yl]indazol-5-yl]isoquinoline
CID 135685758
CID 159337472
CID 159337472
1-cyclopentyl-N-[[5-[3-[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]methyl]methanamine
CID 136509565
4-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-N-benzylisoquinolin-8-amine
CID 135453498
1-cyclopentyl-N-[[5-[3-[4-(3-fluoro-5-methoxyphenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]methyl]methanamine
CID 136938462
[3-[5-[3-(1H-benzimidazol-2-yl)-1-[(4-methoxyphenyl)methyl]indazol-5-yl]-4-methyl-3-pyridinyl]phenyl]methanol;3-(1H-benzimidazol-2-yl)-1-[(4-methoxyphenyl)methyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;bis([3-(5-bromo-4-methyl-3-pyridinyl)phenyl]methanol);3,5-dibromo-4-methylpyridine;[3-(hydroxymethyl)phenyl]boronic acid
CID 158922462
1-cyclopentyl-N-[[5-[3-[4-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]methyl]methanamine
CID 137019554
N-[[5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methyl-3-pyridinyl]methyl]propan-2-amine
CID 135433078
3-bromo-4-methyl-5-pyridin-4-ylpyridine;N-(3,4-diaminophenyl)methanesulfonamide;bis(1-[(4-methoxyphenyl)methyl]-5-(4-methyl-5-pyridin-4-yl-3-pyridinyl)indazole-3-carbaldehyde);N-[2-[1-[(4-methoxyphenyl)methyl]-5-(4-methyl-5-pyridin-4-yl-3-pyridinyl)indazol-3-yl]-3H-benzimidazol-5-yl]methanesulfonamide;1-[(4-methoxyphenyl)methyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole-3-carbaldehyde;N-[2-[5-(4-methyl-5-pyridin-4-yl-3-pyridinyl)-1H-indazol-3-yl]-3H-benzimidazol-5-yl]methanesulfonamide
CID 160700224
[4-[5-[3-(1H-benzimidazol-2-yl)-1-[(4-methoxyphenyl)methyl]indazol-5-yl]-4-methyl-3-pyridinyl]-2-pyridinyl]methanol;3-(1H-benzimidazol-2-yl)-1-[(4-methoxyphenyl)methyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;bis([3-(5-bromo-4-methyl-3-pyridinyl)phenyl]methanol);3,5-dibromo-4-methylpyridine;[3-(hydroxymethyl)phenyl]boronic acid
CID 157107564
N-[[3-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-5-ethyl-2-methylphenyl]methyl]ethanamine
CID 137153838

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-[[2-[5-isoquinolin-4-yl-1-[(4-methoxyphenyl)methyl]indazol-3-yl]-1H-benzimidazol-4-yl]methyl]methanamine;cyclopropylmethanamine;3-[[2-(5-isoquinolin-4-yl-1H-indazol-3-yl)-1H-benzimidazol-4-yl]methylamino]-2-methylpropan-1-ol;[2-[5-isoquinolin-4-yl-1-[(4-methoxyphenyl)methyl]indazol-3-yl]-1H-benzimidazol-4-yl]methanol?
The IUPAC name of 1-cyclopropyl-N-[[2-[5-isoquinolin-4-yl-1-[(4-methoxyphenyl)methyl]indazol-3-yl]-1H-benzimidazol-4-yl]methyl]methanamine;cyclopropylmethanamine;3-[[2-(5-isoquinolin-4-yl-1H-indazol-3-yl)-1H-benzimidazol-4-yl]methylamino]-2-methylpropan-1-ol;[2-[5-isoquinolin-4-yl-1-[(4-methoxyphenyl)methyl]indazol-3-yl]-1H-benzimidazol-4-yl]methanol (CID 158249567) is 1-cyclopropyl-N-[[2-[5-isoquinolin-4-yl-1-[(4-methoxyphenyl)methyl]indazol-3-yl]-1H-benzimidazol-4-yl]methyl]methanamine;cyclopropylmethanamine;3-[[2-(5-isoquinolin-4-yl-1H-indazol-3-yl)-1H-benzimidazol-4-yl]methylamino]-2-methylpropan-1-ol;[2-[5-isoquinolin-4-yl-1-[(4-methoxyphenyl)methyl]indazol-3-yl]-1H-benzimidazol-4-yl]methanol.
What is the SMILES notation for 1-cyclopropyl-N-[[2-[5-isoquinolin-4-yl-1-[(4-methoxyphenyl)methyl]indazol-3-yl]-1H-benzimidazol-4-yl]methyl]methanamine;cyclopropylmethanamine;3-[[2-(5-isoquinolin-4-yl-1H-indazol-3-yl)-1H-benzimidazol-4-yl]methylamino]-2-methylpropan-1-ol;[2-[5-isoquinolin-4-yl-1-[(4-methoxyphenyl)methyl]indazol-3-yl]-1H-benzimidazol-4-yl]methanol?
The canonical SMILES for 1-cyclopropyl-N-[[2-[5-isoquinolin-4-yl-1-[(4-methoxyphenyl)methyl]indazol-3-yl]-1H-benzimidazol-4-yl]methyl]methanamine;cyclopropylmethanamine;3-[[2-(5-isoquinolin-4-yl-1H-indazol-3-yl)-1H-benzimidazol-4-yl]methylamino]-2-methylpropan-1-ol;[2-[5-isoquinolin-4-yl-1-[(4-methoxyphenyl)methyl]indazol-3-yl]-1H-benzimidazol-4-yl]methanol is CC(CO)CNCc1cccc2[nH]c(-c3n[nH]c4ccc(-c5cncc6ccccc56)cc34)nc12.COc1ccc(Cn2nc(-c3nc4c(CNCC5CC5)cccc4[nH]3)c3cc(-c4cncc5ccccc45)ccc32)cc1.COc1ccc(Cn2nc(-c3nc4c(CO)cccc4[nH]3)c3cc(-c4cncc5ccccc45)ccc32)cc1.NCC1CC1.
What is the InChIKey of 1-cyclopropyl-N-[[2-[5-isoquinolin-4-yl-1-[(4-methoxyphenyl)methyl]indazol-3-yl]-1H-benzimidazol-4-yl]methyl]methanamine;cyclopropylmethanamine;3-[[2-(5-isoquinolin-4-yl-1H-indazol-3-yl)-1H-benzimidazol-4-yl]methylamino]-2-methylpropan-1-ol;[2-[5-isoquinolin-4-yl-1-[(4-methoxyphenyl)methyl]indazol-3-yl]-1H-benzimidazol-4-yl]methanol?
The InChIKey is GGNVIFHJGCPHAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H32N6O.C32H25N5O2.C28H26N6O.C4H9N/c1-43-28-14-11-24(12-15-28)22-42-33-16-13-25(31-21-38-19-26-5-2-3-7-29(26)31)17-30(33)35(41-42)36-39-32-8-4-6-27(34(32)40-36)20-37-18-23-9-10-23;1-39-24-12-9-20(10-13-24)18-37-29-14-11-21(27-17-33-16-22-5-2-3-7-25(22)27)15-26(29)31(36-37)32-34-28-8-4-6-23(19-38)30(28)35-32;1-17(16-35)12-29-14-20-6-4-8-25-26(20)32-28(31-25)27-22-11-18(9-10-24(22)33-34-27)23-15-30-13-19-5-2-3-7-21(19)23;5-3-4-1-2-4/h2-8,11-17,19,21,23,37H,9-10,18,20,22H2,1H3,(H,39,40);2-17,38H,18-19H2,1H3,(H,34,35);2-11,13,15,17,29,35H,12,14,16H2,1H3,(H,31,32)(H,33,34);4H,1-3,5H2.
What are the key properties of 1-cyclopropyl-N-[[2-[5-isoquinolin-4-yl-1-[(4-methoxyphenyl)methyl]indazol-3-yl]-1H-benzimidazol-4-yl]methyl]methanamine;cyclopropylmethanamine;3-[[2-(5-isoquinolin-4-yl-1H-indazol-3-yl)-1H-benzimidazol-4-yl]methylamino]-2-methylpropan-1-ol;[2-[5-isoquinolin-4-yl-1-[(4-methoxyphenyl)methyl]indazol-3-yl]-1H-benzimidazol-4-yl]methanol?
1-cyclopropyl-N-[[2-[5-isoquinolin-4-yl-1-[(4-methoxyphenyl)methyl]indazol-3-yl]-1H-benzimidazol-4-yl]methyl]methanamine;cyclopropylmethanamine;3-[[2-(5-isoquinolin-4-yl-1H-indazol-3-yl)-1H-benzimidazol-4-yl]methylamino]-2-methylpropan-1-ol;[2-[5-isoquinolin-4-yl-1-[(4-methoxyphenyl)methyl]indazol-3-yl]-1H-benzimidazol-4-yl]methanol has a molecular weight of 1609.96 g/mol, XLogP of 19.09, 23 rotatable bonds, 9 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-[[2-[5-isoquinolin-4-yl-1-[(4-methoxyphenyl)methyl]indazol-3-yl]-1H-benzimidazol-4-yl]methyl]methanamine;cyclopropylmethanamine;3-[[2-(5-isoquinolin-4-yl-1H-indazol-3-yl)-1H-benzimidazol-4-yl]methylamino]-2-methylpropan-1-ol;[2-[5-isoquinolin-4-yl-1-[(4-methoxyphenyl)methyl]indazol-3-yl]-1H-benzimidazol-4-yl]methanol is sourced from PubChem (CID 158249567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).