5-[2-[5-amino-4-[(5-chloro-2-pyridinyl)carbamoyl]pyrazol-1-yl]phenyl]-3,4-dihydro-2H-pyridine-1-carboxylic acid

C21H19ClN6O3 — CID 122640509

IUPAC5-[2-[5-amino-4-[(5-chloro-2-pyridinyl)carbamoyl]pyrazol-1-yl]phenyl]-3,4-dihydro-2H-pyridine-1-carboxylic acid
SMILESNc1c(C(=O)Nc2ccc(Cl)cn2)cnn1-c1ccccc1C1=CN(C(=O)O)CCC1
InChIInChI=1S/C21H19ClN6O3/c22-14-7-8-18(24-10-14)26-20(29)16-11-25-28(19(16)23)17-6-2-1-5-15(17)13-4-3-9-27(12-13)21(30)31/h1-2,5-8,10-12H,3-4,9,23H2,(H,30,31)(H,24,26,29)
InChIKeyZIHLSXPWBRNRMM-UHFFFAOYSA-N
MW438.88 g/mol
LogP3.87
Rot. Bonds4

About 5-[2-[5-amino-4-[(5-chloro-2-pyridinyl)carbamoyl]pyrazol-1-yl]phenyl]-3,4-dihydro-2H-pyridine-1-carboxylic acid

5-[2-[5-amino-4-[(5-chloro-2-pyridinyl)carbamoyl]pyrazol-1-yl]phenyl]-3,4-dihydro-2H-pyridine-1-carboxylic acid (PubChem CID 122640509) has the molecular formula C21H19ClN6O3 and a molecular weight of 438.88 g/mol. Its IUPAC name is 5-[2-[5-amino-4-[(5-chloro-2-pyridinyl)carbamoyl]pyrazol-1-yl]phenyl]-3,4-dihydro-2H-pyridine-1-carboxylic acid.

Molecular Properties

Compound Name5-[2-[5-amino-4-[(5-chloro-2-pyridinyl)carbamoyl]pyrazol-1-yl]phenyl]-3,4-dihydro-2H-pyridine-1-carboxylic acid
PubChem CID122640509
Molecular FormulaC21H19ClN6O3
Molecular Weight438.88 g/mol
Exact Mass438.12
IUPAC Name5-[2-[5-amino-4-[(5-chloro-2-pyridinyl)carbamoyl]pyrazol-1-yl]phenyl]-3,4-dihydro-2H-pyridine-1-carboxylic acid
SMILESNc1c(C(=O)Nc2ccc(Cl)cn2)cnn1-c1ccccc1C1=CN(C(=O)O)CCC1
InChIInChI=1S/C21H19ClN6O3/c22-14-7-8-18(24-10-14)26-20(29)16-11-25-28(19(16)23)17-6-2-1-5-15(17)13-4-3-9-27(12-13)21(30)31/h1-2,5-8,10-12H,3-4,9,23H2,(H,30,31)(H,24,26,29)
InChIKeyZIHLSXPWBRNRMM-UHFFFAOYSA-N
XLogP3.87
TPSA126.37 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.88
LogP ≤ 53.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[5-amino-4-[(5-chloro-2-pyridinyl)carbamoyl]pyrazol-1-yl]phenyl]-3,4-dihydro-2H-pyridine-1-carboxylic acid?
The IUPAC name of 5-[2-[5-amino-4-[(5-chloro-2-pyridinyl)carbamoyl]pyrazol-1-yl]phenyl]-3,4-dihydro-2H-pyridine-1-carboxylic acid (CID 122640509) is 5-[2-[5-amino-4-[(5-chloro-2-pyridinyl)carbamoyl]pyrazol-1-yl]phenyl]-3,4-dihydro-2H-pyridine-1-carboxylic acid.
What is the SMILES notation for 5-[2-[5-amino-4-[(5-chloro-2-pyridinyl)carbamoyl]pyrazol-1-yl]phenyl]-3,4-dihydro-2H-pyridine-1-carboxylic acid?
The canonical SMILES for 5-[2-[5-amino-4-[(5-chloro-2-pyridinyl)carbamoyl]pyrazol-1-yl]phenyl]-3,4-dihydro-2H-pyridine-1-carboxylic acid is Nc1c(C(=O)Nc2ccc(Cl)cn2)cnn1-c1ccccc1C1=CN(C(=O)O)CCC1.
What is the InChIKey of 5-[2-[5-amino-4-[(5-chloro-2-pyridinyl)carbamoyl]pyrazol-1-yl]phenyl]-3,4-dihydro-2H-pyridine-1-carboxylic acid?
The InChIKey is ZIHLSXPWBRNRMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN6O3/c22-14-7-8-18(24-10-14)26-20(29)16-11-25-28(19(16)23)17-6-2-1-5-15(17)13-4-3-9-27(12-13)21(30)31/h1-2,5-8,10-12H,3-4,9,23H2,(H,30,31)(H,24,26,29).
What are the key properties of 5-[2-[5-amino-4-[(5-chloro-2-pyridinyl)carbamoyl]pyrazol-1-yl]phenyl]-3,4-dihydro-2H-pyridine-1-carboxylic acid?
5-[2-[5-amino-4-[(5-chloro-2-pyridinyl)carbamoyl]pyrazol-1-yl]phenyl]-3,4-dihydro-2H-pyridine-1-carboxylic acid has a molecular weight of 438.88 g/mol, XLogP of 3.87, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[5-amino-4-[(5-chloro-2-pyridinyl)carbamoyl]pyrazol-1-yl]phenyl]-3,4-dihydro-2H-pyridine-1-carboxylic acid is sourced from PubChem (CID 122640509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).