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

C25H27N7O2 — CID 122487515

IUPAC5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-[(4-propan-2-yloxyphenyl)methyl]pyridine-2-carboxamide
SMILESCc1cc(Nc2cc(C)[nH]n2)nc(-c2ccc(C(=O)NCc3ccc(OC(C)C)cc3)nc2)n1
InChIInChI=1S/C25H27N7O2/c1-15(2)34-20-8-5-18(6-9-20)13-27-25(33)21-10-7-19(14-26-21)24-28-16(3)11-22(30-24)29-23-12-17(4)31-32-23/h5-12,14-15H,13H2,1-4H3,(H,27,33)(H2,28,29,30,31,32)
InChIKeyXKPTZDVWAWGQMJ-UHFFFAOYSA-N
MW457.54 g/mol
LogP4.34
Rot. Bonds8

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

5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-[(4-propan-2-yloxyphenyl)methyl]pyridine-2-carboxamide (PubChem CID 122487515) has the molecular formula C25H27N7O2 and a molecular weight of 457.54 g/mol. Its IUPAC name is 5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-[(4-propan-2-yloxyphenyl)methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-[(4-propan-2-yloxyphenyl)methyl]pyridine-2-carboxamide
PubChem CID122487515
Molecular FormulaC25H27N7O2
Molecular Weight457.54 g/mol
Exact Mass457.22
IUPAC Name5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-[(4-propan-2-yloxyphenyl)methyl]pyridine-2-carboxamide
SMILESCc1cc(Nc2cc(C)[nH]n2)nc(-c2ccc(C(=O)NCc3ccc(OC(C)C)cc3)nc2)n1
InChIInChI=1S/C25H27N7O2/c1-15(2)34-20-8-5-18(6-9-20)13-27-25(33)21-10-7-19(14-26-21)24-28-16(3)11-22(30-24)29-23-12-17(4)31-32-23/h5-12,14-15H,13H2,1-4H3,(H,27,33)(H2,28,29,30,31,32)
InChIKeyXKPTZDVWAWGQMJ-UHFFFAOYSA-N
XLogP4.34
TPSA117.71 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.54
LogP ≤ 54.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-[(4-propan-2-yloxyphenyl)methyl]pyridine-2-carboxamide?
The IUPAC name of 5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-[(4-propan-2-yloxyphenyl)methyl]pyridine-2-carboxamide (CID 122487515) is 5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-[(4-propan-2-yloxyphenyl)methyl]pyridine-2-carboxamide.
What is the SMILES notation for 5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-[(4-propan-2-yloxyphenyl)methyl]pyridine-2-carboxamide?
The canonical SMILES for 5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-[(4-propan-2-yloxyphenyl)methyl]pyridine-2-carboxamide is Cc1cc(Nc2cc(C)[nH]n2)nc(-c2ccc(C(=O)NCc3ccc(OC(C)C)cc3)nc2)n1.
What is the InChIKey of 5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-[(4-propan-2-yloxyphenyl)methyl]pyridine-2-carboxamide?
The InChIKey is XKPTZDVWAWGQMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N7O2/c1-15(2)34-20-8-5-18(6-9-20)13-27-25(33)21-10-7-19(14-26-21)24-28-16(3)11-22(30-24)29-23-12-17(4)31-32-23/h5-12,14-15H,13H2,1-4H3,(H,27,33)(H2,28,29,30,31,32).
What are the key properties of 5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-[(4-propan-2-yloxyphenyl)methyl]pyridine-2-carboxamide?
5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-[(4-propan-2-yloxyphenyl)methyl]pyridine-2-carboxamide has a molecular weight of 457.54 g/mol, XLogP of 4.34, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-[(4-propan-2-yloxyphenyl)methyl]pyridine-2-carboxamide is sourced from PubChem (CID 122487515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).