1-methyl-4-[3-methyl-5-[1-(1-propan-2-ylpiperidin-4-yl)piperidin-4-yl]-1H-indol-2-yl]pyrrolo[2,3-b]pyridine

C30H39N5 — CID 142594229

IUPAC1-methyl-4-[3-methyl-5-[1-(1-propan-2-ylpiperidin-4-yl)piperidin-4-yl]-1H-indol-2-yl]pyrrolo[2,3-b]pyridine
SMILESCc1c(-c2ccnc3c2ccn3C)[nH]c2ccc(C3CCN(C4CCN(C(C)C)CC4)CC3)cc12
InChIInChI=1S/C30H39N5/c1-20(2)34-17-10-24(11-18-34)35-15-8-22(9-16-35)23-5-6-28-27(19-23)21(3)29(32-28)25-7-13-31-30-26(25)12-14-33(30)4/h5-7,12-14,19-20,22,24,32H,8-11,15-18H2,1-4H3
InChIKeyNPQQYYWDKJWZHM-UHFFFAOYSA-N
MW469.68 g/mol
LogP6.08
Rot. Bonds4

About 1-methyl-4-[3-methyl-5-[1-(1-propan-2-ylpiperidin-4-yl)piperidin-4-yl]-1H-indol-2-yl]pyrrolo[2,3-b]pyridine

1-methyl-4-[3-methyl-5-[1-(1-propan-2-ylpiperidin-4-yl)piperidin-4-yl]-1H-indol-2-yl]pyrrolo[2,3-b]pyridine (PubChem CID 142594229) has the molecular formula C30H39N5 and a molecular weight of 469.68 g/mol. Its IUPAC name is 1-methyl-4-[3-methyl-5-[1-(1-propan-2-ylpiperidin-4-yl)piperidin-4-yl]-1H-indol-2-yl]pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name1-methyl-4-[3-methyl-5-[1-(1-propan-2-ylpiperidin-4-yl)piperidin-4-yl]-1H-indol-2-yl]pyrrolo[2,3-b]pyridine
PubChem CID142594229
Molecular FormulaC30H39N5
Molecular Weight469.68 g/mol
Exact Mass469.32
IUPAC Name1-methyl-4-[3-methyl-5-[1-(1-propan-2-ylpiperidin-4-yl)piperidin-4-yl]-1H-indol-2-yl]pyrrolo[2,3-b]pyridine
SMILESCc1c(-c2ccnc3c2ccn3C)[nH]c2ccc(C3CCN(C4CCN(C(C)C)CC4)CC3)cc12
InChIInChI=1S/C30H39N5/c1-20(2)34-17-10-24(11-18-34)35-15-8-22(9-16-35)23-5-6-28-27(19-23)21(3)29(32-28)25-7-13-31-30-26(25)12-14-33(30)4/h5-7,12-14,19-20,22,24,32H,8-11,15-18H2,1-4H3
InChIKeyNPQQYYWDKJWZHM-UHFFFAOYSA-N
XLogP6.08
TPSA40.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.68
LogP ≤ 56.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-methyl-4-[3-methyl-5-[1-(1-propan-2-ylpiperidin-4-yl)piperidin-4-yl]-1H-indol-2-yl]pyrrolo[2,3-b]pyridine with MolForge

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Related Compounds

4-[3-propan-2-yl-5-[1-(1-propan-2-ylpiperidin-4-yl)piperidin-4-yl]-1H-indol-2-yl]-1H-pyrazolo[3,4-b]pyridine
CID 142594191
1-methyl-3-[3-propan-2-yl-5-[1-(thian-4-yl)piperidin-4-yl]-1H-indol-2-yl]pyrrolo[2,3-b]pyridine
CID 155796960
5-(1-cyclohexylpiperidin-4-yl)-2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indole
CID 161065761
1-methyl-4-(3-methyl-5-piperidin-4-yl-1H-indol-2-yl)pyrrolo[2,3-b]pyridin-3-amine
CID 155123958
2-(2-fluoro-4-pyridinyl)-5-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]-3-propan-2-yl-1H-indole
CID 134330036
3-ethyl-2-(2-methyl-4-pyridinyl)-5-(1-propan-2-ylpiperidin-4-yl)-1H-indole
CID 134330051
5-[1-(1-cyclohexylpiperidin-4-yl)piperidin-4-yl]-2-(3,4-dimethoxyphenyl)-3-methyl-1H-indole
CID 134230502
2-[(2Z,4E)-6,7-dimethylnona-2,4,6-trien-4-yl]-3-methyl-5-[1-(1-propan-2-ylpiperidin-4-yl)piperidin-4-yl]-1H-indole
CID 142302638
2-methyl-7-(3-methyl-5-piperidin-4-yl-1H-indol-2-yl)-1H-imidazo[4,5-b]pyridine
CID 142594625
3-methyl-7-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)imidazo[4,5-b]pyridine
CID 142593803
5-[1-(2,2-dimethyloxan-4-yl)piperidin-4-yl]-2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indole
CID 134329430
2-(3,4-dimethoxyphenyl)-5-[1-[1-(5-methoxypentyl)piperidin-4-yl]piperidin-4-yl]-3-methyl-1H-indole
CID 142283581

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[3-methyl-5-[1-(1-propan-2-ylpiperidin-4-yl)piperidin-4-yl]-1H-indol-2-yl]pyrrolo[2,3-b]pyridine?
The IUPAC name of 1-methyl-4-[3-methyl-5-[1-(1-propan-2-ylpiperidin-4-yl)piperidin-4-yl]-1H-indol-2-yl]pyrrolo[2,3-b]pyridine (CID 142594229) is 1-methyl-4-[3-methyl-5-[1-(1-propan-2-ylpiperidin-4-yl)piperidin-4-yl]-1H-indol-2-yl]pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 1-methyl-4-[3-methyl-5-[1-(1-propan-2-ylpiperidin-4-yl)piperidin-4-yl]-1H-indol-2-yl]pyrrolo[2,3-b]pyridine?
The canonical SMILES for 1-methyl-4-[3-methyl-5-[1-(1-propan-2-ylpiperidin-4-yl)piperidin-4-yl]-1H-indol-2-yl]pyrrolo[2,3-b]pyridine is Cc1c(-c2ccnc3c2ccn3C)[nH]c2ccc(C3CCN(C4CCN(C(C)C)CC4)CC3)cc12.
What is the InChIKey of 1-methyl-4-[3-methyl-5-[1-(1-propan-2-ylpiperidin-4-yl)piperidin-4-yl]-1H-indol-2-yl]pyrrolo[2,3-b]pyridine?
The InChIKey is NPQQYYWDKJWZHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H39N5/c1-20(2)34-17-10-24(11-18-34)35-15-8-22(9-16-35)23-5-6-28-27(19-23)21(3)29(32-28)25-7-13-31-30-26(25)12-14-33(30)4/h5-7,12-14,19-20,22,24,32H,8-11,15-18H2,1-4H3.
What are the key properties of 1-methyl-4-[3-methyl-5-[1-(1-propan-2-ylpiperidin-4-yl)piperidin-4-yl]-1H-indol-2-yl]pyrrolo[2,3-b]pyridine?
1-methyl-4-[3-methyl-5-[1-(1-propan-2-ylpiperidin-4-yl)piperidin-4-yl]-1H-indol-2-yl]pyrrolo[2,3-b]pyridine has a molecular weight of 469.68 g/mol, XLogP of 6.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[3-methyl-5-[1-(1-propan-2-ylpiperidin-4-yl)piperidin-4-yl]-1H-indol-2-yl]pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 142594229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).