3-methyl-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]pyridine-2-carboxamide

C25H24N10O — CID 122487494

IUPAC3-methyl-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]pyridine-2-carboxamide
SMILESCc1cc(Nc2cc(C)[nH]n2)nc(-c2cnc(C(=O)NCc3ccc(-n4cccn4)nc3)c(C)c2)n1
InChIInChI=1S/C25H24N10O/c1-15-9-19(24-30-16(2)10-20(32-24)31-21-11-17(3)33-34-21)14-27-23(15)25(36)28-13-18-5-6-22(26-12-18)35-8-4-7-29-35/h4-12,14H,13H2,1-3H3,(H,28,36)(H2,30,31,32,33,34)
InChIKeyYZQGNZXJUSFKBR-UHFFFAOYSA-N
MW480.54 g/mol
LogP3.44
Rot. Bonds7

About 3-methyl-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]pyridine-2-carboxamide

3-methyl-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]pyridine-2-carboxamide (PubChem CID 122487494) has the molecular formula C25H24N10O and a molecular weight of 480.54 g/mol. Its IUPAC name is 3-methyl-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-methyl-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]pyridine-2-carboxamide
PubChem CID122487494
Molecular FormulaC25H24N10O
Molecular Weight480.54 g/mol
Exact Mass480.21
IUPAC Name3-methyl-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]pyridine-2-carboxamide
SMILESCc1cc(Nc2cc(C)[nH]n2)nc(-c2cnc(C(=O)NCc3ccc(-n4cccn4)nc3)c(C)c2)n1
InChIInChI=1S/C25H24N10O/c1-15-9-19(24-30-16(2)10-20(32-24)31-21-11-17(3)33-34-21)14-27-23(15)25(36)28-13-18-5-6-22(26-12-18)35-8-4-7-29-35/h4-12,14H,13H2,1-3H3,(H,28,36)(H2,30,31,32,33,34)
InChIKeyYZQGNZXJUSFKBR-UHFFFAOYSA-N
XLogP3.44
TPSA139.19 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.54
LogP ≤ 53.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]pyridine-2-carboxamide?
The IUPAC name of 3-methyl-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]pyridine-2-carboxamide (CID 122487494) is 3-methyl-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]pyridine-2-carboxamide.
What is the SMILES notation for 3-methyl-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]pyridine-2-carboxamide?
The canonical SMILES for 3-methyl-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]pyridine-2-carboxamide is Cc1cc(Nc2cc(C)[nH]n2)nc(-c2cnc(C(=O)NCc3ccc(-n4cccn4)nc3)c(C)c2)n1.
What is the InChIKey of 3-methyl-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]pyridine-2-carboxamide?
The InChIKey is YZQGNZXJUSFKBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N10O/c1-15-9-19(24-30-16(2)10-20(32-24)31-21-11-17(3)33-34-21)14-27-23(15)25(36)28-13-18-5-6-22(26-12-18)35-8-4-7-29-35/h4-12,14H,13H2,1-3H3,(H,28,36)(H2,30,31,32,33,34).
What are the key properties of 3-methyl-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]pyridine-2-carboxamide?
3-methyl-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]pyridine-2-carboxamide has a molecular weight of 480.54 g/mol, XLogP of 3.44, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]pyridine-2-carboxamide is sourced from PubChem (CID 122487494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).