4-amino-1-[[6-[2-[(4-methylpiperazin-1-yl)methyl]pyrrolidin-1-yl]-3-pyridinyl]methyl]-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one

C23H29F3N8O — CID 56658701

IUPAC4-amino-1-[[6-[2-[(4-methylpiperazin-1-yl)methyl]pyrrolidin-1-yl]-3-pyridinyl]methyl]-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one
SMILESCN1CCN(CC2CCCN2c2ccc(Cn3c(=O)[nH]c4c(N)nc(C(F)(F)F)cc43)cn2)CC1
InChIInChI=1S/C23H29F3N8O/c1-31-7-9-32(10-8-31)14-16-3-2-6-33(16)19-5-4-15(12-28-19)13-34-17-11-18(23(24,25)26)29-21(27)20(17)30-22(34)35/h4-5,11-12,16H,2-3,6-10,13-14H2,1H3,(H2,27,29)(H,30,35)
InChIKeyALYPIJNWMQAQEM-UHFFFAOYSA-N
MW490.53 g/mol
LogP1.99
Rot. Bonds5

About 4-amino-1-[[6-[2-[(4-methylpiperazin-1-yl)methyl]pyrrolidin-1-yl]-3-pyridinyl]methyl]-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one

4-amino-1-[[6-[2-[(4-methylpiperazin-1-yl)methyl]pyrrolidin-1-yl]-3-pyridinyl]methyl]-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one (PubChem CID 56658701) has the molecular formula C23H29F3N8O and a molecular weight of 490.53 g/mol. Its IUPAC name is 4-amino-1-[[6-[2-[(4-methylpiperazin-1-yl)methyl]pyrrolidin-1-yl]-3-pyridinyl]methyl]-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one.

Molecular Properties

Compound Name4-amino-1-[[6-[2-[(4-methylpiperazin-1-yl)methyl]pyrrolidin-1-yl]-3-pyridinyl]methyl]-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one
PubChem CID56658701
Molecular FormulaC23H29F3N8O
Molecular Weight490.53 g/mol
Exact Mass490.24
IUPAC Name4-amino-1-[[6-[2-[(4-methylpiperazin-1-yl)methyl]pyrrolidin-1-yl]-3-pyridinyl]methyl]-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one
SMILESCN1CCN(CC2CCCN2c2ccc(Cn3c(=O)[nH]c4c(N)nc(C(F)(F)F)cc43)cn2)CC1
InChIInChI=1S/C23H29F3N8O/c1-31-7-9-32(10-8-31)14-16-3-2-6-33(16)19-5-4-15(12-28-19)13-34-17-11-18(23(24,25)26)29-21(27)20(17)30-22(34)35/h4-5,11-12,16H,2-3,6-10,13-14H2,1H3,(H2,27,29)(H,30,35)
InChIKeyALYPIJNWMQAQEM-UHFFFAOYSA-N
XLogP1.99
TPSA99.31 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.53
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 4-amino-1-[[6-[2-[(4-methylpiperazin-1-yl)methyl]pyrrolidin-1-yl]-3-pyridinyl]methyl]-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one with MolForge

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Related Compounds

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4-amino-1-[[6-(2-piperidin-1-ylethylamino)-3-pyridinyl]methyl]-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one
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2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-9-[(1R)-1-(5-fluoro-2-pyridinyl)ethyl]-7H-purin-8-one
CID 67123577
9-ethyl-N-(3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-8-[6-(trifluoromethyl)-3-pyridinyl]purin-6-amine
CID 118578642
N-[4-[3-[6-(difluoromethyl)pyridin-2-yl]-1H-pyrrolo[3,2-b]pyridin-2-yl]pyridin-2-yl]acetamide
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1-Ethyl-3-[1-(Pyridin-2-Yl)-6-(Pyridin-3-Yl)-1h-Pyrrolo[3,2-B]pyridin-3-Yl]urea
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Piperazine-1-carboxamide, 4
CID 2741409
N-[(1S)-1-(3-fluorophenyl)-3-[(1R,5S)-3-(2-methyl-5-pyrimidin-4-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]acetamide
CID 50992643
4-amino-1-[[6-[2-(diethylamino)ethyl-methylamino]-3-pyridinyl]methyl]-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one
CID 56672556
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CID 56672557

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[[6-[2-[(4-methylpiperazin-1-yl)methyl]pyrrolidin-1-yl]-3-pyridinyl]methyl]-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one?
The IUPAC name of 4-amino-1-[[6-[2-[(4-methylpiperazin-1-yl)methyl]pyrrolidin-1-yl]-3-pyridinyl]methyl]-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one (CID 56658701) is 4-amino-1-[[6-[2-[(4-methylpiperazin-1-yl)methyl]pyrrolidin-1-yl]-3-pyridinyl]methyl]-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one.
What is the SMILES notation for 4-amino-1-[[6-[2-[(4-methylpiperazin-1-yl)methyl]pyrrolidin-1-yl]-3-pyridinyl]methyl]-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one?
The canonical SMILES for 4-amino-1-[[6-[2-[(4-methylpiperazin-1-yl)methyl]pyrrolidin-1-yl]-3-pyridinyl]methyl]-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one is CN1CCN(CC2CCCN2c2ccc(Cn3c(=O)[nH]c4c(N)nc(C(F)(F)F)cc43)cn2)CC1.
What is the InChIKey of 4-amino-1-[[6-[2-[(4-methylpiperazin-1-yl)methyl]pyrrolidin-1-yl]-3-pyridinyl]methyl]-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one?
The InChIKey is ALYPIJNWMQAQEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29F3N8O/c1-31-7-9-32(10-8-31)14-16-3-2-6-33(16)19-5-4-15(12-28-19)13-34-17-11-18(23(24,25)26)29-21(27)20(17)30-22(34)35/h4-5,11-12,16H,2-3,6-10,13-14H2,1H3,(H2,27,29)(H,30,35).
What are the key properties of 4-amino-1-[[6-[2-[(4-methylpiperazin-1-yl)methyl]pyrrolidin-1-yl]-3-pyridinyl]methyl]-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one?
4-amino-1-[[6-[2-[(4-methylpiperazin-1-yl)methyl]pyrrolidin-1-yl]-3-pyridinyl]methyl]-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one has a molecular weight of 490.53 g/mol, XLogP of 1.99, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[[6-[2-[(4-methylpiperazin-1-yl)methyl]pyrrolidin-1-yl]-3-pyridinyl]methyl]-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one is sourced from PubChem (CID 56658701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).