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

C24H29N5O2 — CID 163251725

Data last refreshed: (MolForge compound catalog, from PubChem)

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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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).

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