4-[4-[6-amino-5-[(3-hydroxyphenyl)carbamoyl]-3-pyridinyl]-3-tert-butylpyrazol-1-yl]piperidine-1-carboxylic acid

C25H30N6O4 — CID 175249125

IUPAC4-[4-[6-amino-5-[(3-hydroxyphenyl)carbamoyl]-3-pyridinyl]-3-tert-butylpyrazol-1-yl]piperidine-1-carboxylic acid
SMILESCC(C)(C)c1nn(C2CCN(C(=O)O)CC2)cc1-c1cnc(N)c(C(=O)Nc2cccc(O)c2)c1
InChIInChI=1S/C25H30N6O4/c1-25(2,3)21-20(14-31(29-21)17-7-9-30(10-8-17)24(34)35)15-11-19(22(26)27-13-15)23(33)28-16-5-4-6-18(32)12-16/h4-6,11-14,17,32H,7-10H2,1-3H3,(H2,26,27)(H,28,33)(H,34,35)
InChIKeyKEXIQMQHRVWENB-UHFFFAOYSA-N
MW478.55 g/mol
LogP4.10
Rot. Bonds4

About 4-[4-[6-amino-5-[(3-hydroxyphenyl)carbamoyl]-3-pyridinyl]-3-tert-butylpyrazol-1-yl]piperidine-1-carboxylic acid

4-[4-[6-amino-5-[(3-hydroxyphenyl)carbamoyl]-3-pyridinyl]-3-tert-butylpyrazol-1-yl]piperidine-1-carboxylic acid (PubChem CID 175249125) has the molecular formula C25H30N6O4 and a molecular weight of 478.55 g/mol. Its IUPAC name is 4-[4-[6-amino-5-[(3-hydroxyphenyl)carbamoyl]-3-pyridinyl]-3-tert-butylpyrazol-1-yl]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[4-[6-amino-5-[(3-hydroxyphenyl)carbamoyl]-3-pyridinyl]-3-tert-butylpyrazol-1-yl]piperidine-1-carboxylic acid
PubChem CID175249125
Molecular FormulaC25H30N6O4
Molecular Weight478.55 g/mol
Exact Mass478.23
IUPAC Name4-[4-[6-amino-5-[(3-hydroxyphenyl)carbamoyl]-3-pyridinyl]-3-tert-butylpyrazol-1-yl]piperidine-1-carboxylic acid
SMILESCC(C)(C)c1nn(C2CCN(C(=O)O)CC2)cc1-c1cnc(N)c(C(=O)Nc2cccc(O)c2)c1
InChIInChI=1S/C25H30N6O4/c1-25(2,3)21-20(14-31(29-21)17-7-9-30(10-8-17)24(34)35)15-11-19(22(26)27-13-15)23(33)28-16-5-4-6-18(32)12-16/h4-6,11-14,17,32H,7-10H2,1-3H3,(H2,26,27)(H,28,33)(H,34,35)
InChIKeyKEXIQMQHRVWENB-UHFFFAOYSA-N
XLogP4.10
TPSA146.60 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.55
LogP ≤ 54.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 4-[4-[6-amino-5-[(3-hydroxyphenyl)carbamoyl]-3-pyridinyl]-3-tert-butylpyrazol-1-yl]piperidine-1-carboxylic acid with MolForge

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Related Compounds

4-[4-[6-amino-5-[(4-aminophenyl)carbamoyl]-3-pyridinyl]-3-tert-butylpyrazol-1-yl]piperidine-1-carboxylic acid
CID 175249119
4-[4-[6-amino-5-(2-phenylethylcarbamoyl)-3-pyridinyl]-3-tert-butylpyrazol-1-yl]piperidine-1-carboxylic acid
CID 175249156
4-[4-[6-amino-5-[(3-methoxyphenyl)methylcarbamoyl]-3-pyridinyl]-3-tert-butylpyrazol-1-yl]piperidine-1-carboxylic acid
CID 175249123
tert-butyl 4-[4-[6-amino-5-[(4-aminophenyl)carbamoyl]-3-pyridinyl]pyrazol-1-yl]piperidine-1-carboxylate
CID 164524533
4-[3-tert-butyl-4-[1-(oxan-2-yl)-3-(pyridin-4-ylcarbamoyl)indazol-5-yl]pyrazol-1-yl]piperidine-1-carboxylic acid
CID 175282628
tert-butyl 4-[4-[6-amino-5-[(2-fluorophenyl)carbamoyl]-3-pyridinyl]pyrazol-1-yl]piperidine-1-carboxylate
CID 164524564
2-amino-5-(1-methylpyrazol-4-yl)-N-[1-[(3-phenylphenyl)carbamoyl]pyrrolidin-3-yl]pyridine-3-carboxamide
CID 153439205
tert-butyl 4-[4-[6-amino-5-[(2-methoxyphenyl)carbamoyl]-3-pyridinyl]pyrazol-1-yl]piperidine-1-carboxylate
CID 164524549
2-amino-N-[(3R)-1-[(3-fluorophenyl)carbamoyl]pyrrolidin-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
CID 142326172
5-amino-N-(3-hydroxyphenyl)-1-methylpyrazole-4-carboxamide
CID 82547033
2-amino-N-[(3R)-1-[[3-(4-aminophenyl)phenyl]carbamoyl]pyrrolidin-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
CID 142325437
2-amino-5-[3-(4-hydroxypiperidin-1-yl)sulfonylphenyl]-N-pyridin-4-ylpyridine-3-carboxamide
CID 71061133

Frequently Asked Questions

What is the IUPAC name of 4-[4-[6-amino-5-[(3-hydroxyphenyl)carbamoyl]-3-pyridinyl]-3-tert-butylpyrazol-1-yl]piperidine-1-carboxylic acid?
The IUPAC name of 4-[4-[6-amino-5-[(3-hydroxyphenyl)carbamoyl]-3-pyridinyl]-3-tert-butylpyrazol-1-yl]piperidine-1-carboxylic acid (CID 175249125) is 4-[4-[6-amino-5-[(3-hydroxyphenyl)carbamoyl]-3-pyridinyl]-3-tert-butylpyrazol-1-yl]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-[4-[6-amino-5-[(3-hydroxyphenyl)carbamoyl]-3-pyridinyl]-3-tert-butylpyrazol-1-yl]piperidine-1-carboxylic acid?
The canonical SMILES for 4-[4-[6-amino-5-[(3-hydroxyphenyl)carbamoyl]-3-pyridinyl]-3-tert-butylpyrazol-1-yl]piperidine-1-carboxylic acid is CC(C)(C)c1nn(C2CCN(C(=O)O)CC2)cc1-c1cnc(N)c(C(=O)Nc2cccc(O)c2)c1.
What is the InChIKey of 4-[4-[6-amino-5-[(3-hydroxyphenyl)carbamoyl]-3-pyridinyl]-3-tert-butylpyrazol-1-yl]piperidine-1-carboxylic acid?
The InChIKey is KEXIQMQHRVWENB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N6O4/c1-25(2,3)21-20(14-31(29-21)17-7-9-30(10-8-17)24(34)35)15-11-19(22(26)27-13-15)23(33)28-16-5-4-6-18(32)12-16/h4-6,11-14,17,32H,7-10H2,1-3H3,(H2,26,27)(H,28,33)(H,34,35).
What are the key properties of 4-[4-[6-amino-5-[(3-hydroxyphenyl)carbamoyl]-3-pyridinyl]-3-tert-butylpyrazol-1-yl]piperidine-1-carboxylic acid?
4-[4-[6-amino-5-[(3-hydroxyphenyl)carbamoyl]-3-pyridinyl]-3-tert-butylpyrazol-1-yl]piperidine-1-carboxylic acid has a molecular weight of 478.55 g/mol, XLogP of 4.10, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[6-amino-5-[(3-hydroxyphenyl)carbamoyl]-3-pyridinyl]-3-tert-butylpyrazol-1-yl]piperidine-1-carboxylic acid is sourced from PubChem (CID 175249125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).