[(2R)-1-[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-2-methylpyrrolidin-2-yl]-(4,4-difluoropiperidin-1-yl)methanone

C26H35F2N7O — CID 129114606

IUPAC[(2R)-1-[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-2-methylpyrrolidin-2-yl]-(4,4-difluoropiperidin-1-yl)methanone
SMILESC[C@]1(C(=O)N2CCC(F)(F)CC2)CCCN1c1nc2c(c(Nc3cc(C4CCCC4)[nH]n3)n1)CCC2
InChIInChI=1S/C26H35F2N7O/c1-25(23(36)34-14-11-26(27,28)12-15-34)10-5-13-35(25)24-29-19-9-4-8-18(19)22(31-24)30-21-16-20(32-33-21)17-6-2-3-7-17/h16-17H,2-15H2,1H3,(H2,29,30,31,32,33)/t25-/m1/s1
InChIKeyAAISIBBBKLLNFT-RUZDIDTESA-N
MW499.61 g/mol
LogP4.71
Rot. Bonds5

About [(2R)-1-[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-2-methylpyrrolidin-2-yl]-(4,4-difluoropiperidin-1-yl)methanone

[(2R)-1-[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-2-methylpyrrolidin-2-yl]-(4,4-difluoropiperidin-1-yl)methanone (PubChem CID 129114606) has the molecular formula C26H35F2N7O and a molecular weight of 499.61 g/mol. Its IUPAC name is [(2R)-1-[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-2-methylpyrrolidin-2-yl]-(4,4-difluoropiperidin-1-yl)methanone.

Molecular Properties

Compound Name[(2R)-1-[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-2-methylpyrrolidin-2-yl]-(4,4-difluoropiperidin-1-yl)methanone
PubChem CID129114606
Molecular FormulaC26H35F2N7O
Molecular Weight499.61 g/mol
Exact Mass499.29
IUPAC Name[(2R)-1-[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-2-methylpyrrolidin-2-yl]-(4,4-difluoropiperidin-1-yl)methanone
SMILESC[C@]1(C(=O)N2CCC(F)(F)CC2)CCCN1c1nc2c(c(Nc3cc(C4CCCC4)[nH]n3)n1)CCC2
InChIInChI=1S/C26H35F2N7O/c1-25(23(36)34-14-11-26(27,28)12-15-34)10-5-13-35(25)24-29-19-9-4-8-18(19)22(31-24)30-21-16-20(32-33-21)17-6-2-3-7-17/h16-17H,2-15H2,1H3,(H2,29,30,31,32,33)/t25-/m1/s1
InChIKeyAAISIBBBKLLNFT-RUZDIDTESA-N
XLogP4.71
TPSA90.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.61
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [(2R)-1-[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-2-methylpyrrolidin-2-yl]-(4,4-difluoropiperidin-1-yl)methanone with MolForge

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Launch Full Analysis

Related Compounds

[(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
[(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
[(2S)-1-[4-[[5-[(1S)-3,3-difluorocyclopentyl]-1H-pyrazol-3-yl]amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidin-2-yl]-pyrrolidin-1-ylmethanone
CID 129114552
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
N-(5-cyclohexyl-1H-pyrazol-3-yl)-2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 144990608
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-(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-cyclohexyl-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 129114448
(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-cyclopentyl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-N-(1,3-thiazol-2-yl)piperidine-2-carboxamide
CID 129114668
[(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

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-2-methylpyrrolidin-2-yl]-(4,4-difluoropiperidin-1-yl)methanone?
The IUPAC name of [(2R)-1-[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-2-methylpyrrolidin-2-yl]-(4,4-difluoropiperidin-1-yl)methanone (CID 129114606) is [(2R)-1-[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-2-methylpyrrolidin-2-yl]-(4,4-difluoropiperidin-1-yl)methanone.
What is the SMILES notation for [(2R)-1-[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-2-methylpyrrolidin-2-yl]-(4,4-difluoropiperidin-1-yl)methanone?
The canonical SMILES for [(2R)-1-[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-2-methylpyrrolidin-2-yl]-(4,4-difluoropiperidin-1-yl)methanone is C[C@]1(C(=O)N2CCC(F)(F)CC2)CCCN1c1nc2c(c(Nc3cc(C4CCCC4)[nH]n3)n1)CCC2.
What is the InChIKey of [(2R)-1-[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-2-methylpyrrolidin-2-yl]-(4,4-difluoropiperidin-1-yl)methanone?
The InChIKey is AAISIBBBKLLNFT-RUZDIDTESA-N. The full InChI is InChI=1S/C26H35F2N7O/c1-25(23(36)34-14-11-26(27,28)12-15-34)10-5-13-35(25)24-29-19-9-4-8-18(19)22(31-24)30-21-16-20(32-33-21)17-6-2-3-7-17/h16-17H,2-15H2,1H3,(H2,29,30,31,32,33)/t25-/m1/s1.
What are the key properties of [(2R)-1-[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-2-methylpyrrolidin-2-yl]-(4,4-difluoropiperidin-1-yl)methanone?
[(2R)-1-[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-2-methylpyrrolidin-2-yl]-(4,4-difluoropiperidin-1-yl)methanone has a molecular weight of 499.61 g/mol, XLogP of 4.71, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-2-methylpyrrolidin-2-yl]-(4,4-difluoropiperidin-1-yl)methanone is sourced from PubChem (CID 129114606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).