[1-[(2R)-butan-2-yl]-5-methylpyrazol-4-yl]-[4-[(4-methoxypyrimidin-2-yl)amino]piperidin-1-yl]methanone

C19H28N6O2 — CID 124732891

IUPAC[1-[(2R)-butan-2-yl]-5-methylpyrazol-4-yl]-[4-[(4-methoxypyrimidin-2-yl)amino]piperidin-1-yl]methanone
SMILESCC[C@@H](C)n1ncc(C(=O)N2CCC(Nc3nccc(OC)n3)CC2)c1C
InChIInChI=1S/C19H28N6O2/c1-5-13(2)25-14(3)16(12-21-25)18(26)24-10-7-15(8-11-24)22-19-20-9-6-17(23-19)27-4/h6,9,12-13,15H,5,7-8,10-11H2,1-4H3,(H,20,22,23)/t13-/m1/s1
InChIKeyKADQIXWHCYPAQI-CYBMUJFWSA-N
MW372.47 g/mol
LogP2.68
Rot. Bonds6

About [1-[(2R)-butan-2-yl]-5-methylpyrazol-4-yl]-[4-[(4-methoxypyrimidin-2-yl)amino]piperidin-1-yl]methanone

[1-[(2R)-butan-2-yl]-5-methylpyrazol-4-yl]-[4-[(4-methoxypyrimidin-2-yl)amino]piperidin-1-yl]methanone (PubChem CID 124732891) has the molecular formula C19H28N6O2 and a molecular weight of 372.47 g/mol. Its IUPAC name is [1-[(2R)-butan-2-yl]-5-methylpyrazol-4-yl]-[4-[(4-methoxypyrimidin-2-yl)amino]piperidin-1-yl]methanone.

Molecular Properties

Compound Name[1-[(2R)-butan-2-yl]-5-methylpyrazol-4-yl]-[4-[(4-methoxypyrimidin-2-yl)amino]piperidin-1-yl]methanone
PubChem CID124732891
Molecular FormulaC19H28N6O2
Molecular Weight372.47 g/mol
Exact Mass372.23
IUPAC Name[1-[(2R)-butan-2-yl]-5-methylpyrazol-4-yl]-[4-[(4-methoxypyrimidin-2-yl)amino]piperidin-1-yl]methanone
SMILESCC[C@@H](C)n1ncc(C(=O)N2CCC(Nc3nccc(OC)n3)CC2)c1C
InChIInChI=1S/C19H28N6O2/c1-5-13(2)25-14(3)16(12-21-25)18(26)24-10-7-15(8-11-24)22-19-20-9-6-17(23-19)27-4/h6,9,12-13,15H,5,7-8,10-11H2,1-4H3,(H,20,22,23)/t13-/m1/s1
InChIKeyKADQIXWHCYPAQI-CYBMUJFWSA-N
XLogP2.68
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [1-[(2R)-butan-2-yl]-5-methylpyrazol-4-yl]-[4-[(4-methoxypyrimidin-2-yl)amino]piperidin-1-yl]methanone?
The IUPAC name of [1-[(2R)-butan-2-yl]-5-methylpyrazol-4-yl]-[4-[(4-methoxypyrimidin-2-yl)amino]piperidin-1-yl]methanone (CID 124732891) is [1-[(2R)-butan-2-yl]-5-methylpyrazol-4-yl]-[4-[(4-methoxypyrimidin-2-yl)amino]piperidin-1-yl]methanone.
What is the SMILES notation for [1-[(2R)-butan-2-yl]-5-methylpyrazol-4-yl]-[4-[(4-methoxypyrimidin-2-yl)amino]piperidin-1-yl]methanone?
The canonical SMILES for [1-[(2R)-butan-2-yl]-5-methylpyrazol-4-yl]-[4-[(4-methoxypyrimidin-2-yl)amino]piperidin-1-yl]methanone is CC[C@@H](C)n1ncc(C(=O)N2CCC(Nc3nccc(OC)n3)CC2)c1C.
What is the InChIKey of [1-[(2R)-butan-2-yl]-5-methylpyrazol-4-yl]-[4-[(4-methoxypyrimidin-2-yl)amino]piperidin-1-yl]methanone?
The InChIKey is KADQIXWHCYPAQI-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H28N6O2/c1-5-13(2)25-14(3)16(12-21-25)18(26)24-10-7-15(8-11-24)22-19-20-9-6-17(23-19)27-4/h6,9,12-13,15H,5,7-8,10-11H2,1-4H3,(H,20,22,23)/t13-/m1/s1.
What are the key properties of [1-[(2R)-butan-2-yl]-5-methylpyrazol-4-yl]-[4-[(4-methoxypyrimidin-2-yl)amino]piperidin-1-yl]methanone?
[1-[(2R)-butan-2-yl]-5-methylpyrazol-4-yl]-[4-[(4-methoxypyrimidin-2-yl)amino]piperidin-1-yl]methanone has a molecular weight of 372.47 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2R)-butan-2-yl]-5-methylpyrazol-4-yl]-[4-[(4-methoxypyrimidin-2-yl)amino]piperidin-1-yl]methanone is sourced from PubChem (CID 124732891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).