N,N,4,5-tetramethyl-6-[(3R)-3-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]pyrrolidin-1-yl]pyrimidine-2-carboxamide

C21H31N7O — CID 146112298

IUPACN,N,4,5-tetramethyl-6-[(3R)-3-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]pyrrolidin-1-yl]pyrimidine-2-carboxamide
SMILESCc1nc(C(=O)N(C)C)nc(N2CC[C@@H](NC3CCCc4c3cnn4C)C2)c1C
InChIInChI=1S/C21H31N7O/c1-13-14(2)23-19(21(29)26(3)4)25-20(13)28-10-9-15(12-28)24-17-7-6-8-18-16(17)11-22-27(18)5/h11,15,17,24H,6-10,12H2,1-5H3/t15-,17?/m1/s1
InChIKeyQUUMWJUXDDGXFN-LDCVWXEPSA-N
MW397.53 g/mol
LogP1.77
Rot. Bonds4

About N,N,4,5-tetramethyl-6-[(3R)-3-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]pyrrolidin-1-yl]pyrimidine-2-carboxamide

N,N,4,5-tetramethyl-6-[(3R)-3-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]pyrrolidin-1-yl]pyrimidine-2-carboxamide (PubChem CID 146112298) has the molecular formula C21H31N7O and a molecular weight of 397.53 g/mol. Its IUPAC name is N,N,4,5-tetramethyl-6-[(3R)-3-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]pyrrolidin-1-yl]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN,N,4,5-tetramethyl-6-[(3R)-3-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]pyrrolidin-1-yl]pyrimidine-2-carboxamide
PubChem CID146112298
Molecular FormulaC21H31N7O
Molecular Weight397.53 g/mol
Exact Mass397.26
IUPAC NameN,N,4,5-tetramethyl-6-[(3R)-3-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]pyrrolidin-1-yl]pyrimidine-2-carboxamide
SMILESCc1nc(C(=O)N(C)C)nc(N2CC[C@@H](NC3CCCc4c3cnn4C)C2)c1C
InChIInChI=1S/C21H31N7O/c1-13-14(2)23-19(21(29)26(3)4)25-20(13)28-10-9-15(12-28)24-17-7-6-8-18-16(17)11-22-27(18)5/h11,15,17,24H,6-10,12H2,1-5H3/t15-,17?/m1/s1
InChIKeyQUUMWJUXDDGXFN-LDCVWXEPSA-N
XLogP1.77
TPSA79.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.53
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N,N,4,5-tetramethyl-6-[(3R)-3-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]pyrrolidin-1-yl]pyrimidine-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 N,N,4,5-tetramethyl-6-[(3R)-3-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]pyrrolidin-1-yl]pyrimidine-2-carboxamide?
The IUPAC name of N,N,4,5-tetramethyl-6-[(3R)-3-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]pyrrolidin-1-yl]pyrimidine-2-carboxamide (CID 146112298) is N,N,4,5-tetramethyl-6-[(3R)-3-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]pyrrolidin-1-yl]pyrimidine-2-carboxamide.
What is the SMILES notation for N,N,4,5-tetramethyl-6-[(3R)-3-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]pyrrolidin-1-yl]pyrimidine-2-carboxamide?
The canonical SMILES for N,N,4,5-tetramethyl-6-[(3R)-3-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]pyrrolidin-1-yl]pyrimidine-2-carboxamide is Cc1nc(C(=O)N(C)C)nc(N2CC[C@@H](NC3CCCc4c3cnn4C)C2)c1C.
What is the InChIKey of N,N,4,5-tetramethyl-6-[(3R)-3-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]pyrrolidin-1-yl]pyrimidine-2-carboxamide?
The InChIKey is QUUMWJUXDDGXFN-LDCVWXEPSA-N. The full InChI is InChI=1S/C21H31N7O/c1-13-14(2)23-19(21(29)26(3)4)25-20(13)28-10-9-15(12-28)24-17-7-6-8-18-16(17)11-22-27(18)5/h11,15,17,24H,6-10,12H2,1-5H3/t15-,17?/m1/s1.
What are the key properties of N,N,4,5-tetramethyl-6-[(3R)-3-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]pyrrolidin-1-yl]pyrimidine-2-carboxamide?
N,N,4,5-tetramethyl-6-[(3R)-3-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]pyrrolidin-1-yl]pyrimidine-2-carboxamide has a molecular weight of 397.53 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,4,5-tetramethyl-6-[(3R)-3-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]pyrrolidin-1-yl]pyrimidine-2-carboxamide is sourced from PubChem (CID 146112298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).