N,N-dimethyl-1-[4-[[5-(oxan-4-yl)-1H-pyrazol-3-yl]amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidine-2-carboxamide

C22H31N7O2 — CID 118640187

IUPACN,N-dimethyl-1-[4-[[5-(oxan-4-yl)-1H-pyrazol-3-yl]amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidine-2-carboxamide
SMILESCN(C)C(=O)C1CCCN1c1nc2c(c(Nc3cc(C4CCOCC4)[nH]n3)n1)CCC2
InChIInChI=1S/C22H31N7O2/c1-28(2)21(30)18-7-4-10-29(18)22-23-16-6-3-5-15(16)20(25-22)24-19-13-17(26-27-19)14-8-11-31-12-9-14/h13-14,18H,3-12H2,1-2H3,(H2,23,24,25,26,27)
InChIKeyJKQILWRBDDXGGW-UHFFFAOYSA-N
MW425.54 g/mol
LogP2.38
Rot. Bonds5

About N,N-dimethyl-1-[4-[[5-(oxan-4-yl)-1H-pyrazol-3-yl]amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidine-2-carboxamide

N,N-dimethyl-1-[4-[[5-(oxan-4-yl)-1H-pyrazol-3-yl]amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidine-2-carboxamide (PubChem CID 118640187) has the molecular formula C22H31N7O2 and a molecular weight of 425.54 g/mol. Its IUPAC name is N,N-dimethyl-1-[4-[[5-(oxan-4-yl)-1H-pyrazol-3-yl]amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-1-[4-[[5-(oxan-4-yl)-1H-pyrazol-3-yl]amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidine-2-carboxamide
PubChem CID118640187
Molecular FormulaC22H31N7O2
Molecular Weight425.54 g/mol
Exact Mass425.25
IUPAC NameN,N-dimethyl-1-[4-[[5-(oxan-4-yl)-1H-pyrazol-3-yl]amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidine-2-carboxamide
SMILESCN(C)C(=O)C1CCCN1c1nc2c(c(Nc3cc(C4CCOCC4)[nH]n3)n1)CCC2
InChIInChI=1S/C22H31N7O2/c1-28(2)21(30)18-7-4-10-29(18)22-23-16-6-3-5-15(16)20(25-22)24-19-13-17(26-27-19)14-8-11-31-12-9-14/h13-14,18H,3-12H2,1-2H3,(H2,23,24,25,26,27)
InChIKeyJKQILWRBDDXGGW-UHFFFAOYSA-N
XLogP2.38
TPSA99.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.54
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N,N-dimethyl-1-[4-[[5-(oxan-4-yl)-1H-pyrazol-3-yl]amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidine-2-carboxamide with MolForge

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Related Compounds

(2S)-1-[4-[[5-(3,3-dimethylcyclopentyl)-1H-pyrazol-3-yl]amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-N,N-dimethylpyrrolidine-2-carboxamide
CID 129114731
[(2R)-1-[4-[[5-(oxan-4-yl)-1H-pyrazol-3-yl]amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidin-2-yl]-piperidin-1-ylmethanone
CID 129114217
[(2R)-1-[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidin-2-yl]-morpholin-4-ylmethanone
CID 118915885
1-[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-N-methyl-N-phenylpyrrolidine-2-carboxamide
CID 90259016
(2S)-1-[4-[(5-cyclohexyl-1H-pyrazol-3-yl)amino]-5,6,7,8-tetrahydroquinazolin-2-yl]-N,N-diethylpyrrolidine-2-carboxamide
CID 118915769
(2R)-1-[4-[[5-(3-bicyclo[3.1.0]hexanyl)-1H-pyrazol-3-yl]amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-N,N-diethylpyrrolidine-2-carboxamide
CID 129114964
[(2R)-1-[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidin-2-yl]-piperidin-1-ylmethanone
CID 90259172
(2S)-1-[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]-5,5-difluoro-6,7-dihydrocyclopenta[d]pyrimidin-2-yl]-N,N-dimethylpyrrolidine-2-carboxamide
CID 118915822
(2S)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-N-(1,3-oxazol-2-yl)pyrrolidine-2-carboxamide
CID 129114235
1-[4-[(2R)-1-[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidine-2-carbonyl]piperazin-1-yl]propan-1-one
CID 118627799
1-[4-[(2S)-1-[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidine-2-carbonyl]piperazin-1-yl]propan-1-one
CID 118627777
(2R)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-N-(1H-1,2,4-triazol-5-yl)pyrrolidine-2-carboxamide
CID 129114827

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[4-[[5-(oxan-4-yl)-1H-pyrazol-3-yl]amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidine-2-carboxamide?
The IUPAC name of N,N-dimethyl-1-[4-[[5-(oxan-4-yl)-1H-pyrazol-3-yl]amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidine-2-carboxamide (CID 118640187) is N,N-dimethyl-1-[4-[[5-(oxan-4-yl)-1H-pyrazol-3-yl]amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N,N-dimethyl-1-[4-[[5-(oxan-4-yl)-1H-pyrazol-3-yl]amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidine-2-carboxamide?
The canonical SMILES for N,N-dimethyl-1-[4-[[5-(oxan-4-yl)-1H-pyrazol-3-yl]amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidine-2-carboxamide is CN(C)C(=O)C1CCCN1c1nc2c(c(Nc3cc(C4CCOCC4)[nH]n3)n1)CCC2.
What is the InChIKey of N,N-dimethyl-1-[4-[[5-(oxan-4-yl)-1H-pyrazol-3-yl]amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidine-2-carboxamide?
The InChIKey is JKQILWRBDDXGGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N7O2/c1-28(2)21(30)18-7-4-10-29(18)22-23-16-6-3-5-15(16)20(25-22)24-19-13-17(26-27-19)14-8-11-31-12-9-14/h13-14,18H,3-12H2,1-2H3,(H2,23,24,25,26,27).
What are the key properties of N,N-dimethyl-1-[4-[[5-(oxan-4-yl)-1H-pyrazol-3-yl]amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidine-2-carboxamide?
N,N-dimethyl-1-[4-[[5-(oxan-4-yl)-1H-pyrazol-3-yl]amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidine-2-carboxamide has a molecular weight of 425.54 g/mol, XLogP of 2.38, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[4-[[5-(oxan-4-yl)-1H-pyrazol-3-yl]amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 118640187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).