N-[(3R,4R)-4-methyl-1-[6-methyl-2-(methylamino)pyrimidine-4-carbonyl]pyrrolidin-3-yl]-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide

C20H27N7O2 — CID 167774410

IUPACN-[(3R,4R)-4-methyl-1-[6-methyl-2-(methylamino)pyrimidine-4-carbonyl]pyrrolidin-3-yl]-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide
SMILESCNc1nc(C)cc(C(=O)N2C[C@@H](C)[C@@H](NC(=O)C3CCCc4cn[nH]c43)C2)n1
InChIInChI=1S/C20H27N7O2/c1-11-9-27(19(29)15-7-12(2)23-20(21-3)25-15)10-16(11)24-18(28)14-6-4-5-13-8-22-26-17(13)14/h7-8,11,14,16H,4-6,9-10H2,1-3H3,(H,22,26)(H,24,28)(H,21,23,25)/t11-,14?,16+/m1/s1
InChIKeyJPCQWIKWLRSCOP-DMPVCAQSSA-N
MW397.48 g/mol
LogP1.25
Rot. Bonds4

About N-[(3R,4R)-4-methyl-1-[6-methyl-2-(methylamino)pyrimidine-4-carbonyl]pyrrolidin-3-yl]-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide

N-[(3R,4R)-4-methyl-1-[6-methyl-2-(methylamino)pyrimidine-4-carbonyl]pyrrolidin-3-yl]-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide (PubChem CID 167774410) has the molecular formula C20H27N7O2 and a molecular weight of 397.48 g/mol. Its IUPAC name is N-[(3R,4R)-4-methyl-1-[6-methyl-2-(methylamino)pyrimidine-4-carbonyl]pyrrolidin-3-yl]-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide.

Molecular Properties

Compound NameN-[(3R,4R)-4-methyl-1-[6-methyl-2-(methylamino)pyrimidine-4-carbonyl]pyrrolidin-3-yl]-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide
PubChem CID167774410
Molecular FormulaC20H27N7O2
Molecular Weight397.48 g/mol
Exact Mass397.22
IUPAC NameN-[(3R,4R)-4-methyl-1-[6-methyl-2-(methylamino)pyrimidine-4-carbonyl]pyrrolidin-3-yl]-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide
SMILESCNc1nc(C)cc(C(=O)N2C[C@@H](C)[C@@H](NC(=O)C3CCCc4cn[nH]c43)C2)n1
InChIInChI=1S/C20H27N7O2/c1-11-9-27(19(29)15-7-12(2)23-20(21-3)25-15)10-16(11)24-18(28)14-6-4-5-13-8-22-26-17(13)14/h7-8,11,14,16H,4-6,9-10H2,1-3H3,(H,22,26)(H,24,28)(H,21,23,25)/t11-,14?,16+/m1/s1
InChIKeyJPCQWIKWLRSCOP-DMPVCAQSSA-N
XLogP1.25
TPSA115.90 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 51.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[(3R,4R)-4-methyl-1-[6-methyl-2-(methylamino)pyrimidine-4-carbonyl]pyrrolidin-3-yl]-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(3R,4R)-4-methyl-1-[6-methyl-2-(methylamino)pyrimidine-4-carbonyl]pyrrolidin-3-yl]-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide?
The IUPAC name of N-[(3R,4R)-4-methyl-1-[6-methyl-2-(methylamino)pyrimidine-4-carbonyl]pyrrolidin-3-yl]-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide (CID 167774410) is N-[(3R,4R)-4-methyl-1-[6-methyl-2-(methylamino)pyrimidine-4-carbonyl]pyrrolidin-3-yl]-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide.
What is the SMILES notation for N-[(3R,4R)-4-methyl-1-[6-methyl-2-(methylamino)pyrimidine-4-carbonyl]pyrrolidin-3-yl]-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide?
The canonical SMILES for N-[(3R,4R)-4-methyl-1-[6-methyl-2-(methylamino)pyrimidine-4-carbonyl]pyrrolidin-3-yl]-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide is CNc1nc(C)cc(C(=O)N2C[C@@H](C)[C@@H](NC(=O)C3CCCc4cn[nH]c43)C2)n1.
What is the InChIKey of N-[(3R,4R)-4-methyl-1-[6-methyl-2-(methylamino)pyrimidine-4-carbonyl]pyrrolidin-3-yl]-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide?
The InChIKey is JPCQWIKWLRSCOP-DMPVCAQSSA-N. The full InChI is InChI=1S/C20H27N7O2/c1-11-9-27(19(29)15-7-12(2)23-20(21-3)25-15)10-16(11)24-18(28)14-6-4-5-13-8-22-26-17(13)14/h7-8,11,14,16H,4-6,9-10H2,1-3H3,(H,22,26)(H,24,28)(H,21,23,25)/t11-,14?,16+/m1/s1.
What are the key properties of N-[(3R,4R)-4-methyl-1-[6-methyl-2-(methylamino)pyrimidine-4-carbonyl]pyrrolidin-3-yl]-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide?
N-[(3R,4R)-4-methyl-1-[6-methyl-2-(methylamino)pyrimidine-4-carbonyl]pyrrolidin-3-yl]-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide has a molecular weight of 397.48 g/mol, XLogP of 1.25, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4R)-4-methyl-1-[6-methyl-2-(methylamino)pyrimidine-4-carbonyl]pyrrolidin-3-yl]-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide is sourced from PubChem (CID 167774410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).