N-[4-cyano-5-[3-(cyclohexylamino)propylamino]-6-methylpyrazolo[1,5-a]pyridin-7-yl]-N-(4-ethoxyphenyl)formamide

C27H34N6O2 — CID 142692127

IUPACN-[4-cyano-5-[3-(cyclohexylamino)propylamino]-6-methylpyrazolo[1,5-a]pyridin-7-yl]-N-(4-ethoxyphenyl)formamide
SMILESCCOc1ccc(N(C=O)c2c(C)c(NCCCNC3CCCCC3)c(C#N)c3ccnn23)cc1
InChIInChI=1S/C27H34N6O2/c1-3-35-23-12-10-22(11-13-23)32(19-34)27-20(2)26(24(18-28)25-14-17-31-33(25)27)30-16-7-15-29-21-8-5-4-6-9-21/h10-14,17,19,21,29-30H,3-9,15-16H2,1-2H3
InChIKeyPMBMKMFCDWFYCM-UHFFFAOYSA-N
MW474.61 g/mol
LogP4.93
Rot. Bonds11

About N-[4-cyano-5-[3-(cyclohexylamino)propylamino]-6-methylpyrazolo[1,5-a]pyridin-7-yl]-N-(4-ethoxyphenyl)formamide

N-[4-cyano-5-[3-(cyclohexylamino)propylamino]-6-methylpyrazolo[1,5-a]pyridin-7-yl]-N-(4-ethoxyphenyl)formamide (PubChem CID 142692127) has the molecular formula C27H34N6O2 and a molecular weight of 474.61 g/mol. Its IUPAC name is N-[4-cyano-5-[3-(cyclohexylamino)propylamino]-6-methylpyrazolo[1,5-a]pyridin-7-yl]-N-(4-ethoxyphenyl)formamide.

Molecular Properties

Compound NameN-[4-cyano-5-[3-(cyclohexylamino)propylamino]-6-methylpyrazolo[1,5-a]pyridin-7-yl]-N-(4-ethoxyphenyl)formamide
PubChem CID142692127
Molecular FormulaC27H34N6O2
Molecular Weight474.61 g/mol
Exact Mass474.27
IUPAC NameN-[4-cyano-5-[3-(cyclohexylamino)propylamino]-6-methylpyrazolo[1,5-a]pyridin-7-yl]-N-(4-ethoxyphenyl)formamide
SMILESCCOc1ccc(N(C=O)c2c(C)c(NCCCNC3CCCCC3)c(C#N)c3ccnn23)cc1
InChIInChI=1S/C27H34N6O2/c1-3-35-23-12-10-22(11-13-23)32(19-34)27-20(2)26(24(18-28)25-14-17-31-33(25)27)30-16-7-15-29-21-8-5-4-6-9-21/h10-14,17,19,21,29-30H,3-9,15-16H2,1-2H3
InChIKeyPMBMKMFCDWFYCM-UHFFFAOYSA-N
XLogP4.93
TPSA94.69 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.61
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[3-(cyclohexylamino)propylamino]-7-(4-ethoxyanilino)-6-methylpyrazolo[1,5-a]pyridine-4-carbonitrile
CID 45485217
tert-butyl N-[4-cyano-6-methyl-5-(pyrrolidin-2-ylmethylamino)pyrazolo[1,5-a]pyridin-7-yl]-N-(4-ethoxyphenyl)carbamate
CID 69275231
7-(4-ethoxyanilino)-6-methyl-5-(2-pyrrolidin-2-ylethylamino)pyrazolo[1,5-a]pyridine-4-carbonitrile
CID 45485219
(3R)-3-[[4-cyano-7-[4-(2-methoxyethoxy)-N-[(2-methylpropan-2-yl)oxycarbonyl]anilino]-6-methylpyrazolo[1,5-a]pyridin-5-yl]amino]piperidine-1-carboxylic acid
CID 69275230
7-(4-ethoxyanilino)-6-methyl-5-(piperidin-2-ylmethylamino)pyrazolo[1,5-a]pyridine-4-carbonitrile;2,2,2-trifluoroacetic acid
CID 69282951
7-(4-ethoxyanilino)-6-methyl-5-[[4-(2-methylpropylamino)cyclohexyl]amino]pyrazolo[1,5-a]pyridine-4-carbonitrile;2,2,2-trifluoroacetic acid
CID 69274343
4-[[4-cyano-7-[(4-ethoxybenzoyl)-[(2-methylpropan-2-yl)oxy]amino]-6-methylpyrazolo[1,5-a]pyridin-5-yl]amino]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid
CID 87761977
tert-butyl (3R)-3-[[4-cyano-7-[[4-(2-methoxyethoxy)benzoyl]-[(2-methylpropan-2-yl)oxy]amino]-6-methylpyrazolo[1,5-a]pyridin-5-yl]amino]piperidine-1-carboxylate
CID 90803765
2-[2-(cycloheptylamino)ethylamino]-4-methylpyridine-3-carbonitrile
CID 115306682
4-[2-(4-ethoxy-N-methylanilino)-2-methylpropyl]-2-methylfuro[3,2-b]pyrrole-5-carbaldehyde;N-methylcycloheptanamine
CID 143131089
N-cycloheptyl-N'-(6-ethoxy-2-methylpyrimidin-4-yl)ethane-1,2-diamine
CID 115306618
5-amino-7-(4-ethoxyanilino)-6-ethylpyrazolo[1,5-a]pyridine-4-carbonitrile
CID 143308450

Frequently Asked Questions

What is the IUPAC name of N-[4-cyano-5-[3-(cyclohexylamino)propylamino]-6-methylpyrazolo[1,5-a]pyridin-7-yl]-N-(4-ethoxyphenyl)formamide?
The IUPAC name of N-[4-cyano-5-[3-(cyclohexylamino)propylamino]-6-methylpyrazolo[1,5-a]pyridin-7-yl]-N-(4-ethoxyphenyl)formamide (CID 142692127) is N-[4-cyano-5-[3-(cyclohexylamino)propylamino]-6-methylpyrazolo[1,5-a]pyridin-7-yl]-N-(4-ethoxyphenyl)formamide.
What is the SMILES notation for N-[4-cyano-5-[3-(cyclohexylamino)propylamino]-6-methylpyrazolo[1,5-a]pyridin-7-yl]-N-(4-ethoxyphenyl)formamide?
The canonical SMILES for N-[4-cyano-5-[3-(cyclohexylamino)propylamino]-6-methylpyrazolo[1,5-a]pyridin-7-yl]-N-(4-ethoxyphenyl)formamide is CCOc1ccc(N(C=O)c2c(C)c(NCCCNC3CCCCC3)c(C#N)c3ccnn23)cc1.
What is the InChIKey of N-[4-cyano-5-[3-(cyclohexylamino)propylamino]-6-methylpyrazolo[1,5-a]pyridin-7-yl]-N-(4-ethoxyphenyl)formamide?
The InChIKey is PMBMKMFCDWFYCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N6O2/c1-3-35-23-12-10-22(11-13-23)32(19-34)27-20(2)26(24(18-28)25-14-17-31-33(25)27)30-16-7-15-29-21-8-5-4-6-9-21/h10-14,17,19,21,29-30H,3-9,15-16H2,1-2H3.
What are the key properties of N-[4-cyano-5-[3-(cyclohexylamino)propylamino]-6-methylpyrazolo[1,5-a]pyridin-7-yl]-N-(4-ethoxyphenyl)formamide?
N-[4-cyano-5-[3-(cyclohexylamino)propylamino]-6-methylpyrazolo[1,5-a]pyridin-7-yl]-N-(4-ethoxyphenyl)formamide has a molecular weight of 474.61 g/mol, XLogP of 4.93, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-cyano-5-[3-(cyclohexylamino)propylamino]-6-methylpyrazolo[1,5-a]pyridin-7-yl]-N-(4-ethoxyphenyl)formamide is sourced from PubChem (CID 142692127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).