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

C26H28N8O — CID 167058215

IUPAC1-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-2-pyridinyl]-N-phenylpiperidine-4-carboxamide
SMILESCc1cc(Nc2cc(C)[nH]n2)nc(-c2ccc(N3CCC(C(=O)Nc4ccccc4)CC3)nc2)n1
InChIInChI=1S/C26H28N8O/c1-17-14-22(30-23-15-18(2)32-33-23)31-25(28-17)20-8-9-24(27-16-20)34-12-10-19(11-13-34)26(35)29-21-6-4-3-5-7-21/h3-9,14-16,19H,10-13H2,1-2H3,(H,29,35)(H2,28,30,31,32,33)
InChIKeyMYLJPINXRSGSDY-UHFFFAOYSA-N
MW468.57 g/mol
LogP4.48
Rot. Bonds6

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

1-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-2-pyridinyl]-N-phenylpiperidine-4-carboxamide (PubChem CID 167058215) has the molecular formula C26H28N8O and a molecular weight of 468.57 g/mol. Its IUPAC name is 1-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-2-pyridinyl]-N-phenylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-2-pyridinyl]-N-phenylpiperidine-4-carboxamide
PubChem CID167058215
Molecular FormulaC26H28N8O
Molecular Weight468.57 g/mol
Exact Mass468.24
IUPAC Name1-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-2-pyridinyl]-N-phenylpiperidine-4-carboxamide
SMILESCc1cc(Nc2cc(C)[nH]n2)nc(-c2ccc(N3CCC(C(=O)Nc4ccccc4)CC3)nc2)n1
InChIInChI=1S/C26H28N8O/c1-17-14-22(30-23-15-18(2)32-33-23)31-25(28-17)20-8-9-24(27-16-20)34-12-10-19(11-13-34)26(35)29-21-6-4-3-5-7-21/h3-9,14-16,19H,10-13H2,1-2H3,(H,29,35)(H2,28,30,31,32,33)
InChIKeyMYLJPINXRSGSDY-UHFFFAOYSA-N
XLogP4.48
TPSA111.72 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.57
LogP ≤ 54.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

1-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-2-pyridinyl]-N-phenylpiperidine-4-carboxamide
CID 164959778
2-[6-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine
CID 154684821
N-[(4-methoxyphenyl)methyl]-1-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-2-pyridinyl]piperidine-4-carboxamide
CID 164994620
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 165374230
N-phenyl-1-(6-phenylpyrimidin-4-yl)piperidine-4-carboxamide
CID 53062015
methane;N-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-morpholin-4-ylpyrimidin-2-yl]sulfanylphenyl]cyclopropanecarboxamide
CID 161231504
6-methyl-N-(5-methyl-1H-pyrazol-3-yl)-2-[6-[6-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrimidin-4-amine
CID 167058274
N-[4-[4-(4-butanoylpiperazin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]cyclopropanecarboxamide
CID 126705756
2-[6-[6-[[6-(3-cyclopropylpyrazol-1-yl)-3-pyridinyl]methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine
CID 154684870
N-(4-methylphenyl)-1-(5-phenylpyrimidin-2-yl)piperidine-4-carboxamide
CID 53107320
[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-phenylmethanone
CID 170985113
2-[6-[6-[(3-fluoro-4-methoxyphenyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine
CID 167058161

Frequently Asked Questions

What is the IUPAC name of 1-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-2-pyridinyl]-N-phenylpiperidine-4-carboxamide?
The IUPAC name of 1-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-2-pyridinyl]-N-phenylpiperidine-4-carboxamide (CID 167058215) is 1-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-2-pyridinyl]-N-phenylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-2-pyridinyl]-N-phenylpiperidine-4-carboxamide?
The canonical SMILES for 1-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-2-pyridinyl]-N-phenylpiperidine-4-carboxamide is Cc1cc(Nc2cc(C)[nH]n2)nc(-c2ccc(N3CCC(C(=O)Nc4ccccc4)CC3)nc2)n1.
What is the InChIKey of 1-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-2-pyridinyl]-N-phenylpiperidine-4-carboxamide?
The InChIKey is MYLJPINXRSGSDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N8O/c1-17-14-22(30-23-15-18(2)32-33-23)31-25(28-17)20-8-9-24(27-16-20)34-12-10-19(11-13-34)26(35)29-21-6-4-3-5-7-21/h3-9,14-16,19H,10-13H2,1-2H3,(H,29,35)(H2,28,30,31,32,33).
What are the key properties of 1-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-2-pyridinyl]-N-phenylpiperidine-4-carboxamide?
1-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-2-pyridinyl]-N-phenylpiperidine-4-carboxamide has a molecular weight of 468.57 g/mol, XLogP of 4.48, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-2-pyridinyl]-N-phenylpiperidine-4-carboxamide is sourced from PubChem (CID 167058215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).