(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

C23H30N10O — CID 129114448

IUPAC(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
SMILESO=C(Nc1ncn[nH]1)[C@H]1CCCN1c1nc2c(c(Nc3cc(C4CCCCC4)[nH]n3)n1)CCC2
InChIInChI=1S/C23H30N10O/c34-21(29-22-24-13-25-32-22)18-10-5-11-33(18)23-26-16-9-4-8-15(16)20(28-23)27-19-12-17(30-31-19)14-6-2-1-3-7-14/h12-14,18H,1-11H2,(H2,24,25,29,32,34)(H2,26,27,28,30,31)/t18-/m1/s1
InChIKeyDTIJZHXXDIYHKM-GOSISDBHSA-N
MW462.56 g/mol
LogP3.21
Rot. Bonds6

About (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

(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 (PubChem CID 129114448) has the molecular formula C23H30N10O and a molecular weight of 462.56 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID129114448
Molecular FormulaC23H30N10O
Molecular Weight462.56 g/mol
Exact Mass462.26
IUPAC Name(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
SMILESO=C(Nc1ncn[nH]1)[C@H]1CCCN1c1nc2c(c(Nc3cc(C4CCCCC4)[nH]n3)n1)CCC2
InChIInChI=1S/C23H30N10O/c34-21(29-22-24-13-25-32-22)18-10-5-11-33(18)23-26-16-9-4-8-15(16)20(28-23)27-19-12-17(30-31-19)14-6-2-1-3-7-14/h12-14,18H,1-11H2,(H2,24,25,29,32,34)(H2,26,27,28,30,31)/t18-/m1/s1
InChIKeyDTIJZHXXDIYHKM-GOSISDBHSA-N
XLogP3.21
TPSA140.40 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.56
LogP ≤ 53.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze (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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is O=C(Nc1ncn[nH]1)[C@H]1CCCN1c1nc2c(c(Nc3cc(C4CCCCC4)[nH]n3)n1)CCC2.
What is the InChIKey of (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?
The InChIKey is DTIJZHXXDIYHKM-GOSISDBHSA-N. The full InChI is InChI=1S/C23H30N10O/c34-21(29-22-24-13-25-32-22)18-10-5-11-33(18)23-26-16-9-4-8-15(16)20(28-23)27-19-12-17(30-31-19)14-6-2-1-3-7-14/h12-14,18H,1-11H2,(H2,24,25,29,32,34)(H2,26,27,28,30,31)/t18-/m1/s1.
What are the key properties of (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?
(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 has a molecular weight of 462.56 g/mol, XLogP of 3.21, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 129114448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).