2-[4-[2-[(1-cyclopropylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]-N-(5-methyl-2-pyridinyl)acetamide

C25H24N6O — CID 147857106

IUPAC2-[4-[2-[(1-cyclopropylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]-N-(5-methyl-2-pyridinyl)acetamide
SMILESCc1ccc(NC(=O)Cc2ccc(-c3cnc(Cc4cnn(C5CC5)c4)nc3)cc2)nc1
InChIInChI=1S/C25H24N6O/c1-17-2-9-23(26-12-17)30-25(32)11-18-3-5-20(6-4-18)21-14-27-24(28-15-21)10-19-13-29-31(16-19)22-7-8-22/h2-6,9,12-16,22H,7-8,10-11H2,1H3,(H,26,30,32)
InChIKeyHVYHQKLBZPAYEQ-UHFFFAOYSA-N
MW424.51 g/mol
LogP4.15
Rot. Bonds7

About 2-[4-[2-[(1-cyclopropylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]-N-(5-methyl-2-pyridinyl)acetamide

2-[4-[2-[(1-cyclopropylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]-N-(5-methyl-2-pyridinyl)acetamide (PubChem CID 147857106) has the molecular formula C25H24N6O and a molecular weight of 424.51 g/mol. Its IUPAC name is 2-[4-[2-[(1-cyclopropylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]-N-(5-methyl-2-pyridinyl)acetamide.

Molecular Properties

Compound Name2-[4-[2-[(1-cyclopropylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]-N-(5-methyl-2-pyridinyl)acetamide
PubChem CID147857106
Molecular FormulaC25H24N6O
Molecular Weight424.51 g/mol
Exact Mass424.20
IUPAC Name2-[4-[2-[(1-cyclopropylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]-N-(5-methyl-2-pyridinyl)acetamide
SMILESCc1ccc(NC(=O)Cc2ccc(-c3cnc(Cc4cnn(C5CC5)c4)nc3)cc2)nc1
InChIInChI=1S/C25H24N6O/c1-17-2-9-23(26-12-17)30-25(32)11-18-3-5-20(6-4-18)21-14-27-24(28-15-21)10-19-13-29-31(16-19)22-7-8-22/h2-6,9,12-16,22H,7-8,10-11H2,1H3,(H,26,30,32)
InChIKeyHVYHQKLBZPAYEQ-UHFFFAOYSA-N
XLogP4.15
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.51
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[(1-cyclopropylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]-N-(5-methyl-2-pyridinyl)acetamide?
The IUPAC name of 2-[4-[2-[(1-cyclopropylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]-N-(5-methyl-2-pyridinyl)acetamide (CID 147857106) is 2-[4-[2-[(1-cyclopropylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]-N-(5-methyl-2-pyridinyl)acetamide.
What is the SMILES notation for 2-[4-[2-[(1-cyclopropylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]-N-(5-methyl-2-pyridinyl)acetamide?
The canonical SMILES for 2-[4-[2-[(1-cyclopropylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]-N-(5-methyl-2-pyridinyl)acetamide is Cc1ccc(NC(=O)Cc2ccc(-c3cnc(Cc4cnn(C5CC5)c4)nc3)cc2)nc1.
What is the InChIKey of 2-[4-[2-[(1-cyclopropylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]-N-(5-methyl-2-pyridinyl)acetamide?
The InChIKey is HVYHQKLBZPAYEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N6O/c1-17-2-9-23(26-12-17)30-25(32)11-18-3-5-20(6-4-18)21-14-27-24(28-15-21)10-19-13-29-31(16-19)22-7-8-22/h2-6,9,12-16,22H,7-8,10-11H2,1H3,(H,26,30,32).
What are the key properties of 2-[4-[2-[(1-cyclopropylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]-N-(5-methyl-2-pyridinyl)acetamide?
2-[4-[2-[(1-cyclopropylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]-N-(5-methyl-2-pyridinyl)acetamide has a molecular weight of 424.51 g/mol, XLogP of 4.15, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[(1-cyclopropylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]-N-(5-methyl-2-pyridinyl)acetamide is sourced from PubChem (CID 147857106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).