(3-tert-butyl-1-methylpyrazol-5-yl)-[(2R)-2-[2-methyl-5-(3-methyl-4-pyridinyl)pyrimidin-4-yl]piperidin-1-yl]methanone

C25H32N6O — CID 92563577

IUPAC(3-tert-butyl-1-methylpyrazol-5-yl)-[(2R)-2-[2-methyl-5-(3-methyl-4-pyridinyl)pyrimidin-4-yl]piperidin-1-yl]methanone
SMILESCc1ncc(-c2ccncc2C)c([C@H]2CCCCN2C(=O)c2cc(C(C)(C)C)nn2C)n1
InChIInChI=1S/C25H32N6O/c1-16-14-26-11-10-18(16)19-15-27-17(2)28-23(19)20-9-7-8-12-31(20)24(32)21-13-22(25(3,4)5)29-30(21)6/h10-11,13-15,20H,7-9,12H2,1-6H3/t20-/m1/s1
InChIKeyJBHDKGQNNZQPGI-HXUWFJFHSA-N
MW432.57 g/mol
LogP4.55
Rot. Bonds3

About (3-tert-butyl-1-methylpyrazol-5-yl)-[(2R)-2-[2-methyl-5-(3-methyl-4-pyridinyl)pyrimidin-4-yl]piperidin-1-yl]methanone

(3-tert-butyl-1-methylpyrazol-5-yl)-[(2R)-2-[2-methyl-5-(3-methyl-4-pyridinyl)pyrimidin-4-yl]piperidin-1-yl]methanone (PubChem CID 92563577) has the molecular formula C25H32N6O and a molecular weight of 432.57 g/mol. Its IUPAC name is (3-tert-butyl-1-methylpyrazol-5-yl)-[(2R)-2-[2-methyl-5-(3-methyl-4-pyridinyl)pyrimidin-4-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-tert-butyl-1-methylpyrazol-5-yl)-[(2R)-2-[2-methyl-5-(3-methyl-4-pyridinyl)pyrimidin-4-yl]piperidin-1-yl]methanone
PubChem CID92563577
Molecular FormulaC25H32N6O
Molecular Weight432.57 g/mol
Exact Mass432.26
IUPAC Name(3-tert-butyl-1-methylpyrazol-5-yl)-[(2R)-2-[2-methyl-5-(3-methyl-4-pyridinyl)pyrimidin-4-yl]piperidin-1-yl]methanone
SMILESCc1ncc(-c2ccncc2C)c([C@H]2CCCCN2C(=O)c2cc(C(C)(C)C)nn2C)n1
InChIInChI=1S/C25H32N6O/c1-16-14-26-11-10-18(16)19-15-27-17(2)28-23(19)20-9-7-8-12-31(20)24(32)21-13-22(25(3,4)5)29-30(21)6/h10-11,13-15,20H,7-9,12H2,1-6H3/t20-/m1/s1
InChIKeyJBHDKGQNNZQPGI-HXUWFJFHSA-N
XLogP4.55
TPSA76.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.57
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (3-tert-butyl-1-methylpyrazol-5-yl)-[(2R)-2-[2-methyl-5-(3-methyl-4-pyridinyl)pyrimidin-4-yl]piperidin-1-yl]methanone with MolForge

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Launch Full Analysis

Related Compounds

(3-tert-butyl-1-methylpyrazol-5-yl)-[2-[2-methyl-5-(3-methyl-4-pyridinyl)pyrimidin-4-yl]piperidin-1-yl]methanone
CID 110218280
[(2R)-2-[2-methyl-5-(3-methyl-4-pyridinyl)pyrimidin-4-yl]piperidin-1-yl]-(4-methylthiophen-2-yl)methanone
CID 92554817
[(2S)-2-[2-methyl-5-(3-methyl-4-pyridinyl)pyrimidin-4-yl]piperidin-1-yl]-(4-methylthiophen-2-yl)methanone
CID 92554818
(2-ethoxy-3-pyridinyl)-[(2S)-2-[2-methyl-5-(3-methyl-4-pyridinyl)pyrimidin-4-yl]piperidin-1-yl]methanone
CID 92593239
1-[2-[2-methyl-5-(3-methyl-4-pyridinyl)pyrimidin-4-yl]pyrrolidin-1-yl]-2-(4-methylphenyl)ethanone
CID 110218145
[(2R)-2-[2-methyl-5-(3-methyl-4-pyridinyl)pyrimidin-4-yl]pyrrolidin-1-yl]-(3-propan-2-yl-1,2-oxazol-5-yl)methanone
CID 92563663
3-(4-ethoxyphenyl)-1-[2-[2-methyl-5-(3-methyl-4-pyridinyl)pyrimidin-4-yl]piperidin-1-yl]propan-1-one
CID 110218288
2-(2-ethoxy-4-methylphenoxy)-1-[2-[2-methyl-5-(3-methyl-4-pyridinyl)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone
CID 110218153
[2-[2-(dimethylamino)-5-(3-methyl-4-pyridinyl)pyrimidin-4-yl]piperidin-1-yl]-(3-methoxyphenyl)methanone
CID 110218379
2-(2,6-dimethoxyphenoxy)-1-[2-[2-methyl-5-(3-methyl-4-pyridinyl)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone
CID 110218157
1-[2-[2-(dimethylamino)-5-(3-methyl-4-pyridinyl)pyrimidin-4-yl]piperidin-1-yl]-2-methoxyethanone
CID 110245839
[(2S)-2-[2-(dimethylamino)-5-(3-methyl-4-pyridinyl)pyrimidin-4-yl]piperidin-1-yl]-(6-methoxy-3-pyridinyl)methanone
CID 92563591

Frequently Asked Questions

What is the IUPAC name of (3-tert-butyl-1-methylpyrazol-5-yl)-[(2R)-2-[2-methyl-5-(3-methyl-4-pyridinyl)pyrimidin-4-yl]piperidin-1-yl]methanone?
The IUPAC name of (3-tert-butyl-1-methylpyrazol-5-yl)-[(2R)-2-[2-methyl-5-(3-methyl-4-pyridinyl)pyrimidin-4-yl]piperidin-1-yl]methanone (CID 92563577) is (3-tert-butyl-1-methylpyrazol-5-yl)-[(2R)-2-[2-methyl-5-(3-methyl-4-pyridinyl)pyrimidin-4-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (3-tert-butyl-1-methylpyrazol-5-yl)-[(2R)-2-[2-methyl-5-(3-methyl-4-pyridinyl)pyrimidin-4-yl]piperidin-1-yl]methanone?
The canonical SMILES for (3-tert-butyl-1-methylpyrazol-5-yl)-[(2R)-2-[2-methyl-5-(3-methyl-4-pyridinyl)pyrimidin-4-yl]piperidin-1-yl]methanone is Cc1ncc(-c2ccncc2C)c([C@H]2CCCCN2C(=O)c2cc(C(C)(C)C)nn2C)n1.
What is the InChIKey of (3-tert-butyl-1-methylpyrazol-5-yl)-[(2R)-2-[2-methyl-5-(3-methyl-4-pyridinyl)pyrimidin-4-yl]piperidin-1-yl]methanone?
The InChIKey is JBHDKGQNNZQPGI-HXUWFJFHSA-N. The full InChI is InChI=1S/C25H32N6O/c1-16-14-26-11-10-18(16)19-15-27-17(2)28-23(19)20-9-7-8-12-31(20)24(32)21-13-22(25(3,4)5)29-30(21)6/h10-11,13-15,20H,7-9,12H2,1-6H3/t20-/m1/s1.
What are the key properties of (3-tert-butyl-1-methylpyrazol-5-yl)-[(2R)-2-[2-methyl-5-(3-methyl-4-pyridinyl)pyrimidin-4-yl]piperidin-1-yl]methanone?
(3-tert-butyl-1-methylpyrazol-5-yl)-[(2R)-2-[2-methyl-5-(3-methyl-4-pyridinyl)pyrimidin-4-yl]piperidin-1-yl]methanone has a molecular weight of 432.57 g/mol, XLogP of 4.55, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-tert-butyl-1-methylpyrazol-5-yl)-[(2R)-2-[2-methyl-5-(3-methyl-4-pyridinyl)pyrimidin-4-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 92563577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).