(5-tert-butyl-1H-pyrazol-3-yl)-[2-[(3S)-piperidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone

C20H28N6O — CID 92552453

IUPAC(5-tert-butyl-1H-pyrazol-3-yl)-[2-[(3S)-piperidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
SMILESCC(C)(C)c1cc(C(=O)N2CCc3nc([C@H]4CCCNC4)ncc3C2)n[nH]1
InChIInChI=1S/C20H28N6O/c1-20(2,3)17-9-16(24-25-17)19(27)26-8-6-15-14(12-26)11-22-18(23-15)13-5-4-7-21-10-13/h9,11,13,21H,4-8,10,12H2,1-3H3,(H,24,25)/t13-/m0/s1
InChIKeyCZAORXGLWYCHJH-ZDUSSCGKSA-N
MW368.49 g/mol
LogP2.16
Rot. Bonds2

About (5-tert-butyl-1H-pyrazol-3-yl)-[2-[(3S)-piperidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone

(5-tert-butyl-1H-pyrazol-3-yl)-[2-[(3S)-piperidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone (PubChem CID 92552453) has the molecular formula C20H28N6O and a molecular weight of 368.49 g/mol. Its IUPAC name is (5-tert-butyl-1H-pyrazol-3-yl)-[2-[(3S)-piperidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone.

Molecular Properties

Compound Name(5-tert-butyl-1H-pyrazol-3-yl)-[2-[(3S)-piperidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
PubChem CID92552453
Molecular FormulaC20H28N6O
Molecular Weight368.49 g/mol
Exact Mass368.23
IUPAC Name(5-tert-butyl-1H-pyrazol-3-yl)-[2-[(3S)-piperidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
SMILESCC(C)(C)c1cc(C(=O)N2CCc3nc([C@H]4CCCNC4)ncc3C2)n[nH]1
InChIInChI=1S/C20H28N6O/c1-20(2,3)17-9-16(24-25-17)19(27)26-8-6-15-14(12-26)11-22-18(23-15)13-5-4-7-21-10-13/h9,11,13,21H,4-8,10,12H2,1-3H3,(H,24,25)/t13-/m0/s1
InChIKeyCZAORXGLWYCHJH-ZDUSSCGKSA-N
XLogP2.16
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.49
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (5-tert-butyl-1H-pyrazol-3-yl)-[2-[(3S)-piperidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone with MolForge

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Related Compounds

(2-piperidin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-(5-propan-2-yl-1H-pyrazol-3-yl)methanone
CID 110245887
1-[3-[6-(5-tert-butyl-1H-pyrazole-3-carbonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]ethanone
CID 110241710
(4S)-1-methyl-4-[2-[(3R)-piperidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carbonyl]pyrrolidin-2-one
CID 92607780
(4S)-1-methyl-4-[2-[(3S)-piperidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carbonyl]pyrrolidin-2-one
CID 92607782
(5-tert-butyl-1H-pyrazol-3-yl)-[(2R)-2-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]methanone
CID 92552439
2-(4-methylpiperidin-1-yl)-1-[2-[(3R)-piperidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone
CID 92584217
(5-tert-butyl-1H-pyrazol-3-yl)-[(2R)-2-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]methanone
CID 92552434
2-phenoxy-1-[2-[(3R)-piperidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone
CID 92575358
2-phenoxy-1-[2-[(3S)-piperidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone
CID 92575359
2-[(2R)-2-methylpiperidin-1-yl]-1-[2-[(3R)-piperidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone
CID 92583945
2-[(2S)-2-methylpiperidin-1-yl]-1-[2-[(3R)-piperidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone
CID 92583946
1-(2-piperidin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2-(3,4,5-trimethylpyrazol-1-yl)ethanone
CID 110241382

Frequently Asked Questions

What is the IUPAC name of (5-tert-butyl-1H-pyrazol-3-yl)-[2-[(3S)-piperidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone?
The IUPAC name of (5-tert-butyl-1H-pyrazol-3-yl)-[2-[(3S)-piperidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone (CID 92552453) is (5-tert-butyl-1H-pyrazol-3-yl)-[2-[(3S)-piperidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone.
What is the SMILES notation for (5-tert-butyl-1H-pyrazol-3-yl)-[2-[(3S)-piperidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone?
The canonical SMILES for (5-tert-butyl-1H-pyrazol-3-yl)-[2-[(3S)-piperidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone is CC(C)(C)c1cc(C(=O)N2CCc3nc([C@H]4CCCNC4)ncc3C2)n[nH]1.
What is the InChIKey of (5-tert-butyl-1H-pyrazol-3-yl)-[2-[(3S)-piperidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone?
The InChIKey is CZAORXGLWYCHJH-ZDUSSCGKSA-N. The full InChI is InChI=1S/C20H28N6O/c1-20(2,3)17-9-16(24-25-17)19(27)26-8-6-15-14(12-26)11-22-18(23-15)13-5-4-7-21-10-13/h9,11,13,21H,4-8,10,12H2,1-3H3,(H,24,25)/t13-/m0/s1.
What are the key properties of (5-tert-butyl-1H-pyrazol-3-yl)-[2-[(3S)-piperidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone?
(5-tert-butyl-1H-pyrazol-3-yl)-[2-[(3S)-piperidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone has a molecular weight of 368.49 g/mol, XLogP of 2.16, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-tert-butyl-1H-pyrazol-3-yl)-[2-[(3S)-piperidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone is sourced from PubChem (CID 92552453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).