(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

C24H35N7O — CID 129114731

IUPAC(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
SMILESCN(C)C(=O)[C@@H]1CCCN1c1nc2c(c(Nc3cc(C4CCC(C)(C)C4)[nH]n3)n1)CCC2
InChIInChI=1S/C24H35N7O/c1-24(2)11-10-15(14-24)18-13-20(29-28-18)26-21-16-7-5-8-17(16)25-23(27-21)31-12-6-9-19(31)22(32)30(3)4/h13,15,19H,5-12,14H2,1-4H3,(H2,25,26,27,28,29)/t15?,19-/m0/s1
InChIKeyABLIWXNEKOIXJF-FUBQLUNQSA-N
MW437.59 g/mol
LogP3.78
Rot. Bonds5

About (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

(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 (PubChem CID 129114731) has the molecular formula C24H35N7O and a molecular weight of 437.59 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID129114731
Molecular FormulaC24H35N7O
Molecular Weight437.59 g/mol
Exact Mass437.29
IUPAC Name(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
SMILESCN(C)C(=O)[C@@H]1CCCN1c1nc2c(c(Nc3cc(C4CCC(C)(C)C4)[nH]n3)n1)CCC2
InChIInChI=1S/C24H35N7O/c1-24(2)11-10-15(14-24)18-13-20(29-28-18)26-21-16-7-5-8-17(16)25-23(27-21)31-12-6-9-19(31)22(32)30(3)4/h13,15,19H,5-12,14H2,1-4H3,(H2,25,26,27,28,29)/t15?,19-/m0/s1
InChIKeyABLIWXNEKOIXJF-FUBQLUNQSA-N
XLogP3.78
TPSA90.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.59
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is CN(C)C(=O)[C@@H]1CCCN1c1nc2c(c(Nc3cc(C4CCC(C)(C)C4)[nH]n3)n1)CCC2.
What is the InChIKey of (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?
The InChIKey is ABLIWXNEKOIXJF-FUBQLUNQSA-N. The full InChI is InChI=1S/C24H35N7O/c1-24(2)11-10-15(14-24)18-13-20(29-28-18)26-21-16-7-5-8-17(16)25-23(27-21)31-12-6-9-19(31)22(32)30(3)4/h13,15,19H,5-12,14H2,1-4H3,(H2,25,26,27,28,29)/t15?,19-/m0/s1.
What are the key properties of (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?
(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 has a molecular weight of 437.59 g/mol, XLogP of 3.78, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 129114731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).