N-[(3R,4S)-3-hydroxyoxan-4-yl]-5-methyl-4-[[6-(1-methylpyrazol-3-yl)-3-pyridinyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide

C25H27N7O3 — CID 147074423

IUPACN-[(3R,4S)-3-hydroxyoxan-4-yl]-5-methyl-4-[[6-(1-methylpyrazol-3-yl)-3-pyridinyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide
SMILESCc1c(Cc2ccc(-c3ccn(C)n3)nc2)cc(C(=O)N[C@H]2CCOC[C@@H]2O)nc1-n1cccn1
InChIInChI=1S/C25H27N7O3/c1-16-18(12-17-4-5-19(26-14-17)20-6-10-31(2)30-20)13-22(28-24(16)32-9-3-8-27-32)25(34)29-21-7-11-35-15-23(21)33/h3-6,8-10,13-14,21,23,33H,7,11-12,15H2,1-2H3,(H,29,34)/t21-,23-/m0/s1
InChIKeyBFRMEVSQJVMJLV-GMAHTHKFSA-N
MW473.54 g/mol
LogP1.84
Rot. Bonds6

About N-[(3R,4S)-3-hydroxyoxan-4-yl]-5-methyl-4-[[6-(1-methylpyrazol-3-yl)-3-pyridinyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide

N-[(3R,4S)-3-hydroxyoxan-4-yl]-5-methyl-4-[[6-(1-methylpyrazol-3-yl)-3-pyridinyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide (PubChem CID 147074423) has the molecular formula C25H27N7O3 and a molecular weight of 473.54 g/mol. Its IUPAC name is N-[(3R,4S)-3-hydroxyoxan-4-yl]-5-methyl-4-[[6-(1-methylpyrazol-3-yl)-3-pyridinyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(3R,4S)-3-hydroxyoxan-4-yl]-5-methyl-4-[[6-(1-methylpyrazol-3-yl)-3-pyridinyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide
PubChem CID147074423
Molecular FormulaC25H27N7O3
Molecular Weight473.54 g/mol
Exact Mass473.22
IUPAC NameN-[(3R,4S)-3-hydroxyoxan-4-yl]-5-methyl-4-[[6-(1-methylpyrazol-3-yl)-3-pyridinyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide
SMILESCc1c(Cc2ccc(-c3ccn(C)n3)nc2)cc(C(=O)N[C@H]2CCOC[C@@H]2O)nc1-n1cccn1
InChIInChI=1S/C25H27N7O3/c1-16-18(12-17-4-5-19(26-14-17)20-6-10-31(2)30-20)13-22(28-24(16)32-9-3-8-27-32)25(34)29-21-7-11-35-15-23(21)33/h3-6,8-10,13-14,21,23,33H,7,11-12,15H2,1-2H3,(H,29,34)/t21-,23-/m0/s1
InChIKeyBFRMEVSQJVMJLV-GMAHTHKFSA-N
XLogP1.84
TPSA119.98 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.54
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze N-[(3R,4S)-3-hydroxyoxan-4-yl]-5-methyl-4-[[6-(1-methylpyrazol-3-yl)-3-pyridinyl]methyl]-6-pyrazol-1-ylpyridine-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-[(3R,4S)-3-hydroxyoxan-4-yl]-5-methyl-4-[[6-(1-methylpyrazol-3-yl)-3-pyridinyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide?
The IUPAC name of N-[(3R,4S)-3-hydroxyoxan-4-yl]-5-methyl-4-[[6-(1-methylpyrazol-3-yl)-3-pyridinyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide (CID 147074423) is N-[(3R,4S)-3-hydroxyoxan-4-yl]-5-methyl-4-[[6-(1-methylpyrazol-3-yl)-3-pyridinyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide.
What is the SMILES notation for N-[(3R,4S)-3-hydroxyoxan-4-yl]-5-methyl-4-[[6-(1-methylpyrazol-3-yl)-3-pyridinyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide?
The canonical SMILES for N-[(3R,4S)-3-hydroxyoxan-4-yl]-5-methyl-4-[[6-(1-methylpyrazol-3-yl)-3-pyridinyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide is Cc1c(Cc2ccc(-c3ccn(C)n3)nc2)cc(C(=O)N[C@H]2CCOC[C@@H]2O)nc1-n1cccn1.
What is the InChIKey of N-[(3R,4S)-3-hydroxyoxan-4-yl]-5-methyl-4-[[6-(1-methylpyrazol-3-yl)-3-pyridinyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide?
The InChIKey is BFRMEVSQJVMJLV-GMAHTHKFSA-N. The full InChI is InChI=1S/C25H27N7O3/c1-16-18(12-17-4-5-19(26-14-17)20-6-10-31(2)30-20)13-22(28-24(16)32-9-3-8-27-32)25(34)29-21-7-11-35-15-23(21)33/h3-6,8-10,13-14,21,23,33H,7,11-12,15H2,1-2H3,(H,29,34)/t21-,23-/m0/s1.
What are the key properties of N-[(3R,4S)-3-hydroxyoxan-4-yl]-5-methyl-4-[[6-(1-methylpyrazol-3-yl)-3-pyridinyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide?
N-[(3R,4S)-3-hydroxyoxan-4-yl]-5-methyl-4-[[6-(1-methylpyrazol-3-yl)-3-pyridinyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide has a molecular weight of 473.54 g/mol, XLogP of 1.84, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4S)-3-hydroxyoxan-4-yl]-5-methyl-4-[[6-(1-methylpyrazol-3-yl)-3-pyridinyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide is sourced from PubChem (CID 147074423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).