1-[1-[[2-(3-azabicyclo[3.1.0]hexan-3-yl)pyrimidin-5-yl]methyl]pyrazol-4-yl]ethanone;5-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine

C24H29N7O — CID 145301687

IUPAC1-[1-[[2-(3-azabicyclo[3.1.0]hexan-3-yl)pyrimidin-5-yl]methyl]pyrazol-4-yl]ethanone;5-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine
SMILESCC(=O)c1cnn(Cc2cnc(N3CC4CC4C3)nc2)c1.CC1CCc2nc(N)ccc21
InChIInChI=1S/C15H17N5O.C9H12N2/c1-10(21)14-5-18-20(9-14)6-11-3-16-15(17-4-11)19-7-12-2-13(12)8-19;1-6-2-4-8-7(6)3-5-9(10)11-8/h3-5,9,12-13H,2,6-8H2,1H3;3,5-6H,2,4H2,1H3,(H2,10,11)
InChIKeyCXMYWUVZMQCVLO-UHFFFAOYSA-N
MW431.54 g/mol
LogP3.09
Rot. Bonds4

About 1-[1-[[2-(3-azabicyclo[3.1.0]hexan-3-yl)pyrimidin-5-yl]methyl]pyrazol-4-yl]ethanone;5-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine

1-[1-[[2-(3-azabicyclo[3.1.0]hexan-3-yl)pyrimidin-5-yl]methyl]pyrazol-4-yl]ethanone;5-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine (PubChem CID 145301687) has the molecular formula C24H29N7O and a molecular weight of 431.54 g/mol. Its IUPAC name is 1-[1-[[2-(3-azabicyclo[3.1.0]hexan-3-yl)pyrimidin-5-yl]methyl]pyrazol-4-yl]ethanone;5-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine.

Molecular Properties

Compound Name1-[1-[[2-(3-azabicyclo[3.1.0]hexan-3-yl)pyrimidin-5-yl]methyl]pyrazol-4-yl]ethanone;5-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine
PubChem CID145301687
Molecular FormulaC24H29N7O
Molecular Weight431.54 g/mol
Exact Mass431.24
IUPAC Name1-[1-[[2-(3-azabicyclo[3.1.0]hexan-3-yl)pyrimidin-5-yl]methyl]pyrazol-4-yl]ethanone;5-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine
SMILESCC(=O)c1cnn(Cc2cnc(N3CC4CC4C3)nc2)c1.CC1CCc2nc(N)ccc21
InChIInChI=1S/C15H17N5O.C9H12N2/c1-10(21)14-5-18-20(9-14)6-11-3-16-15(17-4-11)19-7-12-2-13(12)8-19;1-6-2-4-8-7(6)3-5-9(10)11-8/h3-5,9,12-13H,2,6-8H2,1H3;3,5-6H,2,4H2,1H3,(H2,10,11)
InChIKeyCXMYWUVZMQCVLO-UHFFFAOYSA-N
XLogP3.09
TPSA102.82 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.54
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 1-[1-[[2-(3-azabicyclo[3.1.0]hexan-3-yl)pyrimidin-5-yl]methyl]pyrazol-4-yl]ethanone;5-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine with MolForge

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Launch Full Analysis

Related Compounds

N-[(5R)-2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]-1-[[2-(3-azabicyclo[3.1.0]hexan-3-yl)pyrimidin-5-yl]methyl]triazole-4-carboxamide
CID 146564410
ethyl 1-[[5-(3-azabicyclo[3.1.0]hexan-3-yl)pyrazin-2-yl]methyl]pyrazole-4-carboxylate
CID 129078754
1-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]ethanone
CID 83894143
ethyl 1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-cyclopropyl-3-pyridinyl]methyl]pyrazole-4-carboxylate
CID 156826518
1-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]ethanone
CID 62727631
N-[(5R)-2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]-1-[[4-[(4-methylpyrazol-1-yl)methyl]phenyl]methyl]-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 129103442
1-[1-[(3,5-difluorophenyl)methyl]pyrazol-4-yl]ethanone
CID 83811631
ethyl 1-[[5-(3-azabicyclo[3.1.0]hexan-3-yl)-6-cyano-2-pyridinyl]methyl]pyrazole-4-carboxylate
CID 156826563
ethyl 1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-formyl-3-pyridinyl]methyl]pyrazole-4-carboxylate
CID 156825859
1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-[(1S)-1-hydroxyethyl]-3-pyridinyl]methyl]pyrazole-4-carboxylic acid
CID 156826513
methyl 1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-chloro-3-pyridinyl]methyl]pyrazole-4-carboxylate
CID 165179349
ethyl 1-[[4-[(4-oxo-3-azabicyclo[4.1.0]heptan-3-yl)methyl]phenyl]methyl]pyrazole-4-carboxylate
CID 129097112

Frequently Asked Questions

What is the IUPAC name of 1-[1-[[2-(3-azabicyclo[3.1.0]hexan-3-yl)pyrimidin-5-yl]methyl]pyrazol-4-yl]ethanone;5-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine?
The IUPAC name of 1-[1-[[2-(3-azabicyclo[3.1.0]hexan-3-yl)pyrimidin-5-yl]methyl]pyrazol-4-yl]ethanone;5-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine (CID 145301687) is 1-[1-[[2-(3-azabicyclo[3.1.0]hexan-3-yl)pyrimidin-5-yl]methyl]pyrazol-4-yl]ethanone;5-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine.
What is the SMILES notation for 1-[1-[[2-(3-azabicyclo[3.1.0]hexan-3-yl)pyrimidin-5-yl]methyl]pyrazol-4-yl]ethanone;5-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine?
The canonical SMILES for 1-[1-[[2-(3-azabicyclo[3.1.0]hexan-3-yl)pyrimidin-5-yl]methyl]pyrazol-4-yl]ethanone;5-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine is CC(=O)c1cnn(Cc2cnc(N3CC4CC4C3)nc2)c1.CC1CCc2nc(N)ccc21.
What is the InChIKey of 1-[1-[[2-(3-azabicyclo[3.1.0]hexan-3-yl)pyrimidin-5-yl]methyl]pyrazol-4-yl]ethanone;5-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine?
The InChIKey is CXMYWUVZMQCVLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O.C9H12N2/c1-10(21)14-5-18-20(9-14)6-11-3-16-15(17-4-11)19-7-12-2-13(12)8-19;1-6-2-4-8-7(6)3-5-9(10)11-8/h3-5,9,12-13H,2,6-8H2,1H3;3,5-6H,2,4H2,1H3,(H2,10,11).
What are the key properties of 1-[1-[[2-(3-azabicyclo[3.1.0]hexan-3-yl)pyrimidin-5-yl]methyl]pyrazol-4-yl]ethanone;5-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine?
1-[1-[[2-(3-azabicyclo[3.1.0]hexan-3-yl)pyrimidin-5-yl]methyl]pyrazol-4-yl]ethanone;5-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine has a molecular weight of 431.54 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[[2-(3-azabicyclo[3.1.0]hexan-3-yl)pyrimidin-5-yl]methyl]pyrazol-4-yl]ethanone;5-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine is sourced from PubChem (CID 145301687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).