N-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-[(4-methylpiperazin-1-yl)methyl]cyclopropane-1-carboxamide

C24H29N5O2 — CID 163251725

IUPACN-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-[(4-methylpiperazin-1-yl)methyl]cyclopropane-1-carboxamide
SMILESCOc1ccccc1-c1c[nH]c2nc(NC(=O)C3CC3CN3CCN(C)CC3)ccc12
InChIInChI=1S/C24H29N5O2/c1-28-9-11-29(12-10-28)15-16-13-19(16)24(30)27-22-8-7-18-20(14-25-23(18)26-22)17-5-3-4-6-21(17)31-2/h3-8,14,16,19H,9-13,15H2,1-2H3,(H2,25,26,27,30)
InChIKeyZSQBNPDMAFZNOR-UHFFFAOYSA-N
MW419.53 g/mol
LogP3.06
Rot. Bonds6

About N-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-[(4-methylpiperazin-1-yl)methyl]cyclopropane-1-carboxamide

N-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-[(4-methylpiperazin-1-yl)methyl]cyclopropane-1-carboxamide (PubChem CID 163251725) has the molecular formula C24H29N5O2 and a molecular weight of 419.53 g/mol. Its IUPAC name is N-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-[(4-methylpiperazin-1-yl)methyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-[(4-methylpiperazin-1-yl)methyl]cyclopropane-1-carboxamide
PubChem CID163251725
Molecular FormulaC24H29N5O2
Molecular Weight419.53 g/mol
Exact Mass419.23
IUPAC NameN-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-[(4-methylpiperazin-1-yl)methyl]cyclopropane-1-carboxamide
SMILESCOc1ccccc1-c1c[nH]c2nc(NC(=O)C3CC3CN3CCN(C)CC3)ccc12
InChIInChI=1S/C24H29N5O2/c1-28-9-11-29(12-10-28)15-16-13-19(16)24(30)27-22-8-7-18-20(14-25-23(18)26-22)17-5-3-4-6-21(17)31-2/h3-8,14,16,19H,9-13,15H2,1-2H3,(H2,25,26,27,30)
InChIKeyZSQBNPDMAFZNOR-UHFFFAOYSA-N
XLogP3.06
TPSA73.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

cis-(1S,2S)-N-[3-(2,6-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-[(4-ethylpiperazin-1-yl)methyl]cyclopropane-1-carboxamide
CID 163252122
ethanol;N-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide
CID 163251075
trans-(1S,2R)-2-cyano-N-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropane-1-carboxamide
CID 163251756
N-[3-(2,6-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-[2-(dimethylamino)ethyl]cyclopropane-1-carboxamide
CID 163251051
cis-(1R,2R)-2-fluoro-N-[3-(2-fluoro-6-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropane-1-carboxamide
CID 163251897
2-fluoro-N-[3-(2-methoxy-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropane-1-carboxamide
CID 163251350
cis-(1R,2R)-N-[3-(2,6-dimethoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-6-yl]-2-[(4-ethylpiperazin-1-yl)methyl]cyclopropane-1-carboxamide
CID 163251962
1-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-6-yl]-3-[2-[1-(oxetan-3-yl)piperidin-4-yl]ethyl]urea
CID 163250710
N-[3-(2,6-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide;N,N-dimethylmethanamine
CID 163251016
2-fluoro-N-[3-(6-methoxy-1,3-benzoxazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropane-1-carboxamide
CID 163251506
cis-(1R,2R)-2-fluoro-N-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-6-yl]cyclopropane-1-carboxamide
CID 163252137
4-(cyclopropylmethyl)morpholine;N-[3-(2,6-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-6-yl]formamide
CID 163252100

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-[(4-methylpiperazin-1-yl)methyl]cyclopropane-1-carboxamide?
The IUPAC name of N-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-[(4-methylpiperazin-1-yl)methyl]cyclopropane-1-carboxamide (CID 163251725) is N-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-[(4-methylpiperazin-1-yl)methyl]cyclopropane-1-carboxamide.
What is the SMILES notation for N-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-[(4-methylpiperazin-1-yl)methyl]cyclopropane-1-carboxamide?
The canonical SMILES for N-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-[(4-methylpiperazin-1-yl)methyl]cyclopropane-1-carboxamide is COc1ccccc1-c1c[nH]c2nc(NC(=O)C3CC3CN3CCN(C)CC3)ccc12.
What is the InChIKey of N-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-[(4-methylpiperazin-1-yl)methyl]cyclopropane-1-carboxamide?
The InChIKey is ZSQBNPDMAFZNOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O2/c1-28-9-11-29(12-10-28)15-16-13-19(16)24(30)27-22-8-7-18-20(14-25-23(18)26-22)17-5-3-4-6-21(17)31-2/h3-8,14,16,19H,9-13,15H2,1-2H3,(H2,25,26,27,30).
What are the key properties of N-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-[(4-methylpiperazin-1-yl)methyl]cyclopropane-1-carboxamide?
N-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-[(4-methylpiperazin-1-yl)methyl]cyclopropane-1-carboxamide has a molecular weight of 419.53 g/mol, XLogP of 3.06, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-[(4-methylpiperazin-1-yl)methyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 163251725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).