6-(1-methylpyrazol-4-yl)-4-[[(3S)-piperidin-3-yl]amino]quinazoline-8-carboxylic acid

C18H20N6O2 — CID 140576332

IUPAC6-(1-methylpyrazol-4-yl)-4-[[(3S)-piperidin-3-yl]amino]quinazoline-8-carboxylic acid
SMILESCn1cc(-c2cc(C(=O)O)c3ncnc(N[C@H]4CCCNC4)c3c2)cn1
InChIInChI=1S/C18H20N6O2/c1-24-9-12(7-22-24)11-5-14-16(15(6-11)18(25)26)20-10-21-17(14)23-13-3-2-4-19-8-13/h5-7,9-10,13,19H,2-4,8H2,1H3,(H,25,26)(H,20,21,23)/t13-/m0/s1
InChIKeyBFPWWYAMASYQNT-ZDUSSCGKSA-N
MW352.40 g/mol
LogP1.89
Rot. Bonds4

About 6-(1-methylpyrazol-4-yl)-4-[[(3S)-piperidin-3-yl]amino]quinazoline-8-carboxylic acid

6-(1-methylpyrazol-4-yl)-4-[[(3S)-piperidin-3-yl]amino]quinazoline-8-carboxylic acid (PubChem CID 140576332) has the molecular formula C18H20N6O2 and a molecular weight of 352.40 g/mol. Its IUPAC name is 6-(1-methylpyrazol-4-yl)-4-[[(3S)-piperidin-3-yl]amino]quinazoline-8-carboxylic acid.

Molecular Properties

Compound Name6-(1-methylpyrazol-4-yl)-4-[[(3S)-piperidin-3-yl]amino]quinazoline-8-carboxylic acid
PubChem CID140576332
Molecular FormulaC18H20N6O2
Molecular Weight352.40 g/mol
Exact Mass352.16
IUPAC Name6-(1-methylpyrazol-4-yl)-4-[[(3S)-piperidin-3-yl]amino]quinazoline-8-carboxylic acid
SMILESCn1cc(-c2cc(C(=O)O)c3ncnc(N[C@H]4CCCNC4)c3c2)cn1
InChIInChI=1S/C18H20N6O2/c1-24-9-12(7-22-24)11-5-14-16(15(6-11)18(25)26)20-10-21-17(14)23-13-3-2-4-19-8-13/h5-7,9-10,13,19H,2-4,8H2,1H3,(H,25,26)(H,20,21,23)/t13-/m0/s1
InChIKeyBFPWWYAMASYQNT-ZDUSSCGKSA-N
XLogP1.89
TPSA104.96 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.40
LogP ≤ 51.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 6-(1-methylpyrazol-4-yl)-4-[[(3S)-piperidin-3-yl]amino]quinazoline-8-carboxylic acid with MolForge

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Related Compounds

4-[[(3S)-piperidin-3-yl]amino]-6-[4-(trifluoromethyl)phenyl]quinazoline-8-carboxamide
CID 66764088
2-(cyclobutylamino)-5-(1-methylpyrazol-4-yl)benzoic acid
CID 146095809
9-(1-methylpyrazol-4-yl)-6-[[(3S)-piperidin-3-yl]amino]-2H-benzo[c][1,6]naphthyridin-1-one
CID 25097514
4-(piperidin-3-ylamino)-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid
CID 138595531
5-bromo-6-methyl-N-piperidin-3-ylpyrimidin-4-amine
CID 83844973
ethyl 4-[[(3R)-piperidin-3-yl]amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylate
CID 146361976
4-[[(3R)-piperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid;hydrochloride
CID 138595405
4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]-N-[(3R)-piperidin-3-yl]thiophene-2-carboxamide
CID 59603852
cyclopropyl-[4-(piperidin-3-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone;hydrochloride
CID 146343885
cyclopropyl-[4-[[(3R)-piperidin-3-yl]amino]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone;hydrochloride
CID 146343881
(3S)-N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]piperidine-3-carboxamide
CID 138588985
2-fluoro-5-(1-methylpyrazol-4-yl)benzoic acid
CID 39826399

Frequently Asked Questions

What is the IUPAC name of 6-(1-methylpyrazol-4-yl)-4-[[(3S)-piperidin-3-yl]amino]quinazoline-8-carboxylic acid?
The IUPAC name of 6-(1-methylpyrazol-4-yl)-4-[[(3S)-piperidin-3-yl]amino]quinazoline-8-carboxylic acid (CID 140576332) is 6-(1-methylpyrazol-4-yl)-4-[[(3S)-piperidin-3-yl]amino]quinazoline-8-carboxylic acid.
What is the SMILES notation for 6-(1-methylpyrazol-4-yl)-4-[[(3S)-piperidin-3-yl]amino]quinazoline-8-carboxylic acid?
The canonical SMILES for 6-(1-methylpyrazol-4-yl)-4-[[(3S)-piperidin-3-yl]amino]quinazoline-8-carboxylic acid is Cn1cc(-c2cc(C(=O)O)c3ncnc(N[C@H]4CCCNC4)c3c2)cn1.
What is the InChIKey of 6-(1-methylpyrazol-4-yl)-4-[[(3S)-piperidin-3-yl]amino]quinazoline-8-carboxylic acid?
The InChIKey is BFPWWYAMASYQNT-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H20N6O2/c1-24-9-12(7-22-24)11-5-14-16(15(6-11)18(25)26)20-10-21-17(14)23-13-3-2-4-19-8-13/h5-7,9-10,13,19H,2-4,8H2,1H3,(H,25,26)(H,20,21,23)/t13-/m0/s1.
What are the key properties of 6-(1-methylpyrazol-4-yl)-4-[[(3S)-piperidin-3-yl]amino]quinazoline-8-carboxylic acid?
6-(1-methylpyrazol-4-yl)-4-[[(3S)-piperidin-3-yl]amino]quinazoline-8-carboxylic acid has a molecular weight of 352.40 g/mol, XLogP of 1.89, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-methylpyrazol-4-yl)-4-[[(3S)-piperidin-3-yl]amino]quinazoline-8-carboxylic acid is sourced from PubChem (CID 140576332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).