(3R,4R)-N-propan-2-yl-1-(1-propan-2-ylpyrazole-4-carbonyl)-4-(2-pyrrolidin-1-ylpyrimidin-4-yl)pyrrolidine-3-carboxamide

C23H33N7O2 — CID 92580189

IUPAC(3R,4R)-N-propan-2-yl-1-(1-propan-2-ylpyrazole-4-carbonyl)-4-(2-pyrrolidin-1-ylpyrimidin-4-yl)pyrrolidine-3-carboxamide
SMILESCC(C)NC(=O)[C@H]1CN(C(=O)c2cnn(C(C)C)c2)C[C@@H]1c1ccnc(N2CCCC2)n1
InChIInChI=1S/C23H33N7O2/c1-15(2)26-21(31)19-14-29(22(32)17-11-25-30(12-17)16(3)4)13-18(19)20-7-8-24-23(27-20)28-9-5-6-10-28/h7-8,11-12,15-16,18-19H,5-6,9-10,13-14H2,1-4H3,(H,26,31)/t18-,19-/m0/s1
InChIKeyBOPNGADIMGUBPT-OALUTQOASA-N
MW439.56 g/mol
LogP2.23
Rot. Bonds6

About (3R,4R)-N-propan-2-yl-1-(1-propan-2-ylpyrazole-4-carbonyl)-4-(2-pyrrolidin-1-ylpyrimidin-4-yl)pyrrolidine-3-carboxamide

(3R,4R)-N-propan-2-yl-1-(1-propan-2-ylpyrazole-4-carbonyl)-4-(2-pyrrolidin-1-ylpyrimidin-4-yl)pyrrolidine-3-carboxamide (PubChem CID 92580189) has the molecular formula C23H33N7O2 and a molecular weight of 439.56 g/mol. Its IUPAC name is (3R,4R)-N-propan-2-yl-1-(1-propan-2-ylpyrazole-4-carbonyl)-4-(2-pyrrolidin-1-ylpyrimidin-4-yl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R,4R)-N-propan-2-yl-1-(1-propan-2-ylpyrazole-4-carbonyl)-4-(2-pyrrolidin-1-ylpyrimidin-4-yl)pyrrolidine-3-carboxamide
PubChem CID92580189
Molecular FormulaC23H33N7O2
Molecular Weight439.56 g/mol
Exact Mass439.27
IUPAC Name(3R,4R)-N-propan-2-yl-1-(1-propan-2-ylpyrazole-4-carbonyl)-4-(2-pyrrolidin-1-ylpyrimidin-4-yl)pyrrolidine-3-carboxamide
SMILESCC(C)NC(=O)[C@H]1CN(C(=O)c2cnn(C(C)C)c2)C[C@@H]1c1ccnc(N2CCCC2)n1
InChIInChI=1S/C23H33N7O2/c1-15(2)26-21(31)19-14-29(22(32)17-11-25-30(12-17)16(3)4)13-18(19)20-7-8-24-23(27-20)28-9-5-6-10-28/h7-8,11-12,15-16,18-19H,5-6,9-10,13-14H2,1-4H3,(H,26,31)/t18-,19-/m0/s1
InChIKeyBOPNGADIMGUBPT-OALUTQOASA-N
XLogP2.23
TPSA96.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.56
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (3R,4R)-N-propan-2-yl-1-(1-propan-2-ylpyrazole-4-carbonyl)-4-(2-pyrrolidin-1-ylpyrimidin-4-yl)pyrrolidine-3-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 (3R,4R)-N-propan-2-yl-1-(1-propan-2-ylpyrazole-4-carbonyl)-4-(2-pyrrolidin-1-ylpyrimidin-4-yl)pyrrolidine-3-carboxamide?
The IUPAC name of (3R,4R)-N-propan-2-yl-1-(1-propan-2-ylpyrazole-4-carbonyl)-4-(2-pyrrolidin-1-ylpyrimidin-4-yl)pyrrolidine-3-carboxamide (CID 92580189) is (3R,4R)-N-propan-2-yl-1-(1-propan-2-ylpyrazole-4-carbonyl)-4-(2-pyrrolidin-1-ylpyrimidin-4-yl)pyrrolidine-3-carboxamide.
What is the SMILES notation for (3R,4R)-N-propan-2-yl-1-(1-propan-2-ylpyrazole-4-carbonyl)-4-(2-pyrrolidin-1-ylpyrimidin-4-yl)pyrrolidine-3-carboxamide?
The canonical SMILES for (3R,4R)-N-propan-2-yl-1-(1-propan-2-ylpyrazole-4-carbonyl)-4-(2-pyrrolidin-1-ylpyrimidin-4-yl)pyrrolidine-3-carboxamide is CC(C)NC(=O)[C@H]1CN(C(=O)c2cnn(C(C)C)c2)C[C@@H]1c1ccnc(N2CCCC2)n1.
What is the InChIKey of (3R,4R)-N-propan-2-yl-1-(1-propan-2-ylpyrazole-4-carbonyl)-4-(2-pyrrolidin-1-ylpyrimidin-4-yl)pyrrolidine-3-carboxamide?
The InChIKey is BOPNGADIMGUBPT-OALUTQOASA-N. The full InChI is InChI=1S/C23H33N7O2/c1-15(2)26-21(31)19-14-29(22(32)17-11-25-30(12-17)16(3)4)13-18(19)20-7-8-24-23(27-20)28-9-5-6-10-28/h7-8,11-12,15-16,18-19H,5-6,9-10,13-14H2,1-4H3,(H,26,31)/t18-,19-/m0/s1.
What are the key properties of (3R,4R)-N-propan-2-yl-1-(1-propan-2-ylpyrazole-4-carbonyl)-4-(2-pyrrolidin-1-ylpyrimidin-4-yl)pyrrolidine-3-carboxamide?
(3R,4R)-N-propan-2-yl-1-(1-propan-2-ylpyrazole-4-carbonyl)-4-(2-pyrrolidin-1-ylpyrimidin-4-yl)pyrrolidine-3-carboxamide has a molecular weight of 439.56 g/mol, XLogP of 2.23, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-N-propan-2-yl-1-(1-propan-2-ylpyrazole-4-carbonyl)-4-(2-pyrrolidin-1-ylpyrimidin-4-yl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 92580189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).