3-(1H-imidazol-5-yl)-1-(oxan-2-yl)-5-(1H-pyrrolo[2,3-c]pyridin-4-yl)indazole;3-(1H-imidazol-5-yl)-5-(1H-pyrrolo[2,3-c]pyridin-4-yl)-1H-indazole;methane

C40H36N12O — CID 157466394

IUPAC3-(1H-imidazol-5-yl)-1-(oxan-2-yl)-5-(1H-pyrrolo[2,3-c]pyridin-4-yl)indazole;3-(1H-imidazol-5-yl)-5-(1H-pyrrolo[2,3-c]pyridin-4-yl)-1H-indazole;methane
SMILESC.c1ncc(-c2n[nH]c3ccc(-c4cncc5[nH]ccc45)cc23)[nH]1.c1ncc(-c2nn(C3CCCCO3)c3ccc(-c4cncc5[nH]ccc45)cc23)[nH]1
InChIInChI=1S/C22H20N6O.C17H12N6.CH4/c1-2-8-29-21(3-1)28-20-5-4-14(17-10-23-11-18-15(17)6-7-25-18)9-16(20)22(27-28)19-12-24-13-26-19;1-2-14-12(17(23-22-14)16-8-19-9-21-16)5-10(1)13-6-18-7-15-11(13)3-4-20-15;/h4-7,9-13,21,25H,1-3,8H2,(H,24,26);1-9,20H,(H,19,21)(H,22,23);1H4
InChIKeyBUNLEAYEKFGFNN-UHFFFAOYSA-N
MW700.81 g/mol
LogP8.80
Rot. Bonds5

About 3-(1H-imidazol-5-yl)-1-(oxan-2-yl)-5-(1H-pyrrolo[2,3-c]pyridin-4-yl)indazole;3-(1H-imidazol-5-yl)-5-(1H-pyrrolo[2,3-c]pyridin-4-yl)-1H-indazole;methane

3-(1H-imidazol-5-yl)-1-(oxan-2-yl)-5-(1H-pyrrolo[2,3-c]pyridin-4-yl)indazole;3-(1H-imidazol-5-yl)-5-(1H-pyrrolo[2,3-c]pyridin-4-yl)-1H-indazole;methane (PubChem CID 157466394) has the molecular formula C40H36N12O and a molecular weight of 700.81 g/mol. Its IUPAC name is 3-(1H-imidazol-5-yl)-1-(oxan-2-yl)-5-(1H-pyrrolo[2,3-c]pyridin-4-yl)indazole;3-(1H-imidazol-5-yl)-5-(1H-pyrrolo[2,3-c]pyridin-4-yl)-1H-indazole;methane.

Molecular Properties

Compound Name3-(1H-imidazol-5-yl)-1-(oxan-2-yl)-5-(1H-pyrrolo[2,3-c]pyridin-4-yl)indazole;3-(1H-imidazol-5-yl)-5-(1H-pyrrolo[2,3-c]pyridin-4-yl)-1H-indazole;methane
PubChem CID157466394
Molecular FormulaC40H36N12O
Molecular Weight700.81 g/mol
Exact Mass700.31
IUPAC Name3-(1H-imidazol-5-yl)-1-(oxan-2-yl)-5-(1H-pyrrolo[2,3-c]pyridin-4-yl)indazole;3-(1H-imidazol-5-yl)-5-(1H-pyrrolo[2,3-c]pyridin-4-yl)-1H-indazole;methane
SMILESC.c1ncc(-c2n[nH]c3ccc(-c4cncc5[nH]ccc45)cc23)[nH]1.c1ncc(-c2nn(C3CCCCO3)c3ccc(-c4cncc5[nH]ccc45)cc23)[nH]1
InChIInChI=1S/C22H20N6O.C17H12N6.CH4/c1-2-8-29-21(3-1)28-20-5-4-14(17-10-23-11-18-15(17)6-7-25-18)9-16(20)22(27-28)19-12-24-13-26-19;1-2-14-12(17(23-22-14)16-8-19-9-21-16)5-10(1)13-6-18-7-15-11(13)3-4-20-15;/h4-7,9-13,21,25H,1-3,8H2,(H,24,26);1-9,20H,(H,19,21)(H,22,23);1H4
InChIKeyBUNLEAYEKFGFNN-UHFFFAOYSA-N
XLogP8.80
TPSA170.45 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500700.81
LogP ≤ 58.80
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Analyze 3-(1H-imidazol-5-yl)-1-(oxan-2-yl)-5-(1H-pyrrolo[2,3-c]pyridin-4-yl)indazole;3-(1H-imidazol-5-yl)-5-(1H-pyrrolo[2,3-c]pyridin-4-yl)-1H-indazole;methane with MolForge

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Related Compounds

7-(4-methylpiperazin-1-yl)-2-(5-pyridin-3-yl-1H-indazol-3-yl)-3H-imidazo[4,5-c]pyridine
CID 136273081
4-[5-[3-[7-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]morpholine
CID 136273082
4-[2-(5-pyridin-3-yl-1H-indazol-3-yl)-3H-imidazo[4,5-c]pyridin-7-yl]morpholine
CID 136643035
5-[3-[7-(2-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-N-propan-2-ylpyridin-3-amine
CID 136643071
2-[6-fluoro-5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-4-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-c]pyridine
CID 153384585
N-[[4-methyl-5-[3-(5-methyl-4-phenyl-1H-imidazol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]methyl]ethanamine
CID 135992306
2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]pyridin-3-yl]-1H-indazol-3-yl]-7-piperidin-1-yl-3H-imidazo[4,5-c]pyridine
CID 136643025
N-[[5-[3-(4-pyridin-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]methyl]ethanamine
CID 137019305
17-Methyl-3,8,11,12,13,17,21,28,29,34-decazaheptacyclo[22.5.2.12,5.110,13.119,23.04,9.027,30]tetratriaconta-1(29),2,4,6,8,10(33),11,19(32),20,22,24(31),25,27(30)-tridecaene
CID 147515509
N-[[4-methyl-5-[3-[6-(piperidin-1-ylmethyl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]methyl]ethanamine
CID 136019499
4-[[5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methyl-3-pyridinyl]methyl]morpholine
CID 135433128
(1R,4R)-5-[3-(3-methyl-2H-indazol-5-yl)imidazo[1,2-b]pyridazin-6-yl]-2-oxa-5-azabicyclo[2.2.1]heptane
CID 172442199

Frequently Asked Questions

What is the IUPAC name of 3-(1H-imidazol-5-yl)-1-(oxan-2-yl)-5-(1H-pyrrolo[2,3-c]pyridin-4-yl)indazole;3-(1H-imidazol-5-yl)-5-(1H-pyrrolo[2,3-c]pyridin-4-yl)-1H-indazole;methane?
The IUPAC name of 3-(1H-imidazol-5-yl)-1-(oxan-2-yl)-5-(1H-pyrrolo[2,3-c]pyridin-4-yl)indazole;3-(1H-imidazol-5-yl)-5-(1H-pyrrolo[2,3-c]pyridin-4-yl)-1H-indazole;methane (CID 157466394) is 3-(1H-imidazol-5-yl)-1-(oxan-2-yl)-5-(1H-pyrrolo[2,3-c]pyridin-4-yl)indazole;3-(1H-imidazol-5-yl)-5-(1H-pyrrolo[2,3-c]pyridin-4-yl)-1H-indazole;methane.
What is the SMILES notation for 3-(1H-imidazol-5-yl)-1-(oxan-2-yl)-5-(1H-pyrrolo[2,3-c]pyridin-4-yl)indazole;3-(1H-imidazol-5-yl)-5-(1H-pyrrolo[2,3-c]pyridin-4-yl)-1H-indazole;methane?
The canonical SMILES for 3-(1H-imidazol-5-yl)-1-(oxan-2-yl)-5-(1H-pyrrolo[2,3-c]pyridin-4-yl)indazole;3-(1H-imidazol-5-yl)-5-(1H-pyrrolo[2,3-c]pyridin-4-yl)-1H-indazole;methane is C.c1ncc(-c2n[nH]c3ccc(-c4cncc5[nH]ccc45)cc23)[nH]1.c1ncc(-c2nn(C3CCCCO3)c3ccc(-c4cncc5[nH]ccc45)cc23)[nH]1.
What is the InChIKey of 3-(1H-imidazol-5-yl)-1-(oxan-2-yl)-5-(1H-pyrrolo[2,3-c]pyridin-4-yl)indazole;3-(1H-imidazol-5-yl)-5-(1H-pyrrolo[2,3-c]pyridin-4-yl)-1H-indazole;methane?
The InChIKey is BUNLEAYEKFGFNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N6O.C17H12N6.CH4/c1-2-8-29-21(3-1)28-20-5-4-14(17-10-23-11-18-15(17)6-7-25-18)9-16(20)22(27-28)19-12-24-13-26-19;1-2-14-12(17(23-22-14)16-8-19-9-21-16)5-10(1)13-6-18-7-15-11(13)3-4-20-15;/h4-7,9-13,21,25H,1-3,8H2,(H,24,26);1-9,20H,(H,19,21)(H,22,23);1H4.
What are the key properties of 3-(1H-imidazol-5-yl)-1-(oxan-2-yl)-5-(1H-pyrrolo[2,3-c]pyridin-4-yl)indazole;3-(1H-imidazol-5-yl)-5-(1H-pyrrolo[2,3-c]pyridin-4-yl)-1H-indazole;methane?
3-(1H-imidazol-5-yl)-1-(oxan-2-yl)-5-(1H-pyrrolo[2,3-c]pyridin-4-yl)indazole;3-(1H-imidazol-5-yl)-5-(1H-pyrrolo[2,3-c]pyridin-4-yl)-1H-indazole;methane has a molecular weight of 700.81 g/mol, XLogP of 8.80, 5 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-imidazol-5-yl)-1-(oxan-2-yl)-5-(1H-pyrrolo[2,3-c]pyridin-4-yl)indazole;3-(1H-imidazol-5-yl)-5-(1H-pyrrolo[2,3-c]pyridin-4-yl)-1H-indazole;methane is sourced from PubChem (CID 157466394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).