N,N-dimethyl-3-[4-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]-1H-imidazo[4,5-c]pyridin-2-yl]benzamide

C26H35N7O — CID 162650023

IUPACN,N-dimethyl-3-[4-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]-1H-imidazo[4,5-c]pyridin-2-yl]benzamide
SMILESCN1CCN(CC2CCN(c3nccc4[nH]c(-c5cccc(C(=O)N(C)C)c5)nc34)CC2)CC1
InChIInChI=1S/C26H35N7O/c1-30(2)26(34)21-6-4-5-20(17-21)24-28-22-7-10-27-25(23(22)29-24)33-11-8-19(9-12-33)18-32-15-13-31(3)14-16-32/h4-7,10,17,19H,8-9,11-16,18H2,1-3H3,(H,28,29)
InChIKeyHAOARPLOBPMPAB-UHFFFAOYSA-N
MW461.61 g/mol
LogP2.79
Rot. Bonds5

About N,N-dimethyl-3-[4-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]-1H-imidazo[4,5-c]pyridin-2-yl]benzamide

N,N-dimethyl-3-[4-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]-1H-imidazo[4,5-c]pyridin-2-yl]benzamide (PubChem CID 162650023) has the molecular formula C26H35N7O and a molecular weight of 461.61 g/mol. Its IUPAC name is N,N-dimethyl-3-[4-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]-1H-imidazo[4,5-c]pyridin-2-yl]benzamide.

Molecular Properties

Compound NameN,N-dimethyl-3-[4-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]-1H-imidazo[4,5-c]pyridin-2-yl]benzamide
PubChem CID162650023
Molecular FormulaC26H35N7O
Molecular Weight461.61 g/mol
Exact Mass461.29
IUPAC NameN,N-dimethyl-3-[4-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]-1H-imidazo[4,5-c]pyridin-2-yl]benzamide
SMILESCN1CCN(CC2CCN(c3nccc4[nH]c(-c5cccc(C(=O)N(C)C)c5)nc34)CC2)CC1
InChIInChI=1S/C26H35N7O/c1-30(2)26(34)21-6-4-5-20(17-21)24-28-22-7-10-27-25(23(22)29-24)33-11-8-19(9-12-33)18-32-15-13-31(3)14-16-32/h4-7,10,17,19H,8-9,11-16,18H2,1-3H3,(H,28,29)
InChIKeyHAOARPLOBPMPAB-UHFFFAOYSA-N
XLogP2.79
TPSA71.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.61
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[4-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]-1H-imidazo[4,5-c]pyridin-2-yl]benzamide?
The IUPAC name of N,N-dimethyl-3-[4-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]-1H-imidazo[4,5-c]pyridin-2-yl]benzamide (CID 162650023) is N,N-dimethyl-3-[4-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]-1H-imidazo[4,5-c]pyridin-2-yl]benzamide.
What is the SMILES notation for N,N-dimethyl-3-[4-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]-1H-imidazo[4,5-c]pyridin-2-yl]benzamide?
The canonical SMILES for N,N-dimethyl-3-[4-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]-1H-imidazo[4,5-c]pyridin-2-yl]benzamide is CN1CCN(CC2CCN(c3nccc4[nH]c(-c5cccc(C(=O)N(C)C)c5)nc34)CC2)CC1.
What is the InChIKey of N,N-dimethyl-3-[4-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]-1H-imidazo[4,5-c]pyridin-2-yl]benzamide?
The InChIKey is HAOARPLOBPMPAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N7O/c1-30(2)26(34)21-6-4-5-20(17-21)24-28-22-7-10-27-25(23(22)29-24)33-11-8-19(9-12-33)18-32-15-13-31(3)14-16-32/h4-7,10,17,19H,8-9,11-16,18H2,1-3H3,(H,28,29).
What are the key properties of N,N-dimethyl-3-[4-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]-1H-imidazo[4,5-c]pyridin-2-yl]benzamide?
N,N-dimethyl-3-[4-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]-1H-imidazo[4,5-c]pyridin-2-yl]benzamide has a molecular weight of 461.61 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[4-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]-1H-imidazo[4,5-c]pyridin-2-yl]benzamide is sourced from PubChem (CID 162650023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).