[5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methyl-3-pyridinyl]methanol;4-[[5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methyl-3-pyridinyl]methyl]morpholine;morpholine

C50H50N12O3 — CID 158209215

IUPAC[5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methyl-3-pyridinyl]methanol;4-[[5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methyl-3-pyridinyl]methyl]morpholine;morpholine
SMILESC1COCCN1.Cc1c(CN2CCOCC2)cncc1-c1ccc2[nH]nc(-c3nc4ccccc4[nH]3)c2c1.Cc1c(CO)cncc1-c1ccc2[nH]nc(-c3nc4ccccc4[nH]3)c2c1
InChIInChI=1S/C25H24N6O.C21H17N5O.C4H9NO/c1-16-18(15-31-8-10-32-11-9-31)13-26-14-20(16)17-6-7-21-19(12-17)24(30-29-21)25-27-22-4-2-3-5-23(22)28-25;1-12-14(11-27)9-22-10-16(12)13-6-7-17-15(8-13)20(26-25-17)21-23-18-4-2-3-5-19(18)24-21;1-3-6-4-2-5-1/h2-7,12-14H,8-11,15H2,1H3,(H,27,28)(H,29,30);2-10,27H,11H2,1H3,(H,23,24)(H,25,26);5H,1-4H2
InChIKeyGBWCQLCZGIFNDG-UHFFFAOYSA-N
MW867.03 g/mol
LogP7.88
Rot. Bonds7

About [5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methyl-3-pyridinyl]methanol;4-[[5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methyl-3-pyridinyl]methyl]morpholine;morpholine

[5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methyl-3-pyridinyl]methanol;4-[[5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methyl-3-pyridinyl]methyl]morpholine;morpholine (PubChem CID 158209215) has the molecular formula C50H50N12O3 and a molecular weight of 867.03 g/mol. Its IUPAC name is [5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methyl-3-pyridinyl]methanol;4-[[5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methyl-3-pyridinyl]methyl]morpholine;morpholine.

Molecular Properties

Compound Name[5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methyl-3-pyridinyl]methanol;4-[[5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methyl-3-pyridinyl]methyl]morpholine;morpholine
PubChem CID158209215
Molecular FormulaC50H50N12O3
Molecular Weight867.03 g/mol
Exact Mass866.41
IUPAC Name[5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methyl-3-pyridinyl]methanol;4-[[5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methyl-3-pyridinyl]methyl]morpholine;morpholine
SMILESC1COCCN1.Cc1c(CN2CCOCC2)cncc1-c1ccc2[nH]nc(-c3nc4ccccc4[nH]3)c2c1.Cc1c(CO)cncc1-c1ccc2[nH]nc(-c3nc4ccccc4[nH]3)c2c1
InChIInChI=1S/C25H24N6O.C21H17N5O.C4H9NO/c1-16-18(15-31-8-10-32-11-9-31)13-26-14-20(16)17-6-7-21-19(12-17)24(30-29-21)25-27-22-4-2-3-5-23(22)28-25;1-12-14(11-27)9-22-10-16(12)13-6-7-17-15(8-13)20(26-25-17)21-23-18-4-2-3-5-19(18)24-21;1-3-6-4-2-5-1/h2-7,12-14H,8-11,15H2,1H3,(H,27,28)(H,29,30);2-10,27H,11H2,1H3,(H,23,24)(H,25,26);5H,1-4H2
InChIKeyGBWCQLCZGIFNDG-UHFFFAOYSA-N
XLogP7.88
TPSA194.46 Ų
H-Bond Donors6
H-Bond Acceptors11
Rotatable Bonds7
Heavy Atoms65
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 500867.03
LogP ≤ 57.88
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1011

Analyze [5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methyl-3-pyridinyl]methanol;4-[[5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methyl-3-pyridinyl]methyl]morpholine;morpholine with MolForge

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Launch Full Analysis

Related Compounds

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
US10071079, Example 505
CID 132272370
US10071079, Example 523
CID 132272386
US10071079, Example 513
CID 136214181
[4-[3-[4-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-1H-benzimidazol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-1-methylpyrazol-3-yl]methanol
CID 137109621
[[5-[7-fluoro-3-(4-pyridin-3-yl-1H-imidazo[4,5-c]pyridin-2-yl)-2H-indazol-5-yl]-3-pyridinyl]amino]-phenylmethanol
CID 137177844
[[5-[4-fluoro-3-(4-pyridin-4-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]amino]-phenylmethanol
CID 137177855
[[5-[4-fluoro-3-[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]amino]-phenylmethanol
CID 137230398
[[5-[3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]amino]-phenylmethanol
CID 137232577
[[5-[4-fluoro-3-(7-pyridin-4-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]amino]-phenylmethanol
CID 137232582
[[5-[4-fluoro-3-(7-piperidin-1-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]amino]-phenylmethanol
CID 137232589
[[5-[4-fluoro-3-(4-piperidin-1-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]amino]-phenylmethanol
CID 137250631

Frequently Asked Questions

What is the IUPAC name of [5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methyl-3-pyridinyl]methanol;4-[[5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methyl-3-pyridinyl]methyl]morpholine;morpholine?
The IUPAC name of [5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methyl-3-pyridinyl]methanol;4-[[5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methyl-3-pyridinyl]methyl]morpholine;morpholine (CID 158209215) is [5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methyl-3-pyridinyl]methanol;4-[[5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methyl-3-pyridinyl]methyl]morpholine;morpholine.
What is the SMILES notation for [5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methyl-3-pyridinyl]methanol;4-[[5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methyl-3-pyridinyl]methyl]morpholine;morpholine?
The canonical SMILES for [5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methyl-3-pyridinyl]methanol;4-[[5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methyl-3-pyridinyl]methyl]morpholine;morpholine is C1COCCN1.Cc1c(CN2CCOCC2)cncc1-c1ccc2[nH]nc(-c3nc4ccccc4[nH]3)c2c1.Cc1c(CO)cncc1-c1ccc2[nH]nc(-c3nc4ccccc4[nH]3)c2c1.
What is the InChIKey of [5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methyl-3-pyridinyl]methanol;4-[[5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methyl-3-pyridinyl]methyl]morpholine;morpholine?
The InChIKey is GBWCQLCZGIFNDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N6O.C21H17N5O.C4H9NO/c1-16-18(15-31-8-10-32-11-9-31)13-26-14-20(16)17-6-7-21-19(12-17)24(30-29-21)25-27-22-4-2-3-5-23(22)28-25;1-12-14(11-27)9-22-10-16(12)13-6-7-17-15(8-13)20(26-25-17)21-23-18-4-2-3-5-19(18)24-21;1-3-6-4-2-5-1/h2-7,12-14H,8-11,15H2,1H3,(H,27,28)(H,29,30);2-10,27H,11H2,1H3,(H,23,24)(H,25,26);5H,1-4H2.
What are the key properties of [5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methyl-3-pyridinyl]methanol;4-[[5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methyl-3-pyridinyl]methyl]morpholine;morpholine?
[5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methyl-3-pyridinyl]methanol;4-[[5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methyl-3-pyridinyl]methyl]morpholine;morpholine has a molecular weight of 867.03 g/mol, XLogP of 7.88, 7 rotatable bonds, 6 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methyl-3-pyridinyl]methanol;4-[[5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methyl-3-pyridinyl]methyl]morpholine;morpholine is sourced from PubChem (CID 158209215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).