(2-anilinopyrimidin-5-yl)-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone

C19H20N6O — CID 95229346

IUPAC(2-anilinopyrimidin-5-yl)-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
SMILESO=C(c1cnc(Nc2ccccc2)nc1)N1CCC[C@H](c2ccn[nH]2)C1
InChIInChI=1S/C19H20N6O/c26-18(25-10-4-5-14(13-25)17-8-9-22-24-17)15-11-20-19(21-12-15)23-16-6-2-1-3-7-16/h1-3,6-9,11-12,14H,4-5,10,13H2,(H,22,24)(H,20,21,23)/t14-/m0/s1
InChIKeyISJWSQWVMBCQMZ-AWEZNQCLSA-N
MW348.41 g/mol
LogP2.96
Rot. Bonds4

About (2-anilinopyrimidin-5-yl)-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone

(2-anilinopyrimidin-5-yl)-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone (PubChem CID 95229346) has the molecular formula C19H20N6O and a molecular weight of 348.41 g/mol. Its IUPAC name is (2-anilinopyrimidin-5-yl)-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-anilinopyrimidin-5-yl)-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
PubChem CID95229346
Molecular FormulaC19H20N6O
Molecular Weight348.41 g/mol
Exact Mass348.17
IUPAC Name(2-anilinopyrimidin-5-yl)-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
SMILESO=C(c1cnc(Nc2ccccc2)nc1)N1CCC[C@H](c2ccn[nH]2)C1
InChIInChI=1S/C19H20N6O/c26-18(25-10-4-5-14(13-25)17-8-9-22-24-17)15-11-20-19(21-12-15)23-16-6-2-1-3-7-16/h1-3,6-9,11-12,14H,4-5,10,13H2,(H,22,24)(H,20,21,23)/t14-/m0/s1
InChIKeyISJWSQWVMBCQMZ-AWEZNQCLSA-N
XLogP2.96
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(1-phenylpyrazol-4-yl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 126466165
[6-(cyclopropylmethoxy)-3-pyridinyl]-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 95781185
N-(4-phenylphenyl)-3-(1H-pyrazol-5-yl)piperidine-1-carboxamide
CID 166207366
cyclopropyl-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 62866717
[3-(1H-pyrazol-5-yl)piperidin-1-yl]-(2H-triazol-4-yl)methanone
CID 78917987
1-phenyl-4-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]butane-1,4-dione
CID 97080910
N-benzyl-3-(1H-pyrazol-5-yl)piperidine-1-carboxamide
CID 166186970
[(3R)-3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]-pyridin-4-ylmethanone
CID 95841606
1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone
CID 62867071
(2-anilinopyrimidin-5-yl)-[(3S,4S)-4-hydroxy-3-(hydroxymethyl)piperidin-1-yl]methanone
CID 155505971
2,3-dihydro-1H-inden-5-yl-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 124605887
(1-tert-butylpyrazol-4-yl)-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 100669470

Frequently Asked Questions

What is the IUPAC name of (2-anilinopyrimidin-5-yl)-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone?
The IUPAC name of (2-anilinopyrimidin-5-yl)-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone (CID 95229346) is (2-anilinopyrimidin-5-yl)-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (2-anilinopyrimidin-5-yl)-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone?
The canonical SMILES for (2-anilinopyrimidin-5-yl)-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone is O=C(c1cnc(Nc2ccccc2)nc1)N1CCC[C@H](c2ccn[nH]2)C1.
What is the InChIKey of (2-anilinopyrimidin-5-yl)-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone?
The InChIKey is ISJWSQWVMBCQMZ-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H20N6O/c26-18(25-10-4-5-14(13-25)17-8-9-22-24-17)15-11-20-19(21-12-15)23-16-6-2-1-3-7-16/h1-3,6-9,11-12,14H,4-5,10,13H2,(H,22,24)(H,20,21,23)/t14-/m0/s1.
What are the key properties of (2-anilinopyrimidin-5-yl)-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone?
(2-anilinopyrimidin-5-yl)-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone has a molecular weight of 348.41 g/mol, XLogP of 2.96, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-anilinopyrimidin-5-yl)-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 95229346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).