N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-(4-methyl-1H-pyrazol-5-yl)pyridine-3-carboxamide

C21H20ClF2N5O3 — CID 72545603

IUPACN-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-(4-methyl-1H-pyrazol-5-yl)pyridine-3-carboxamide
SMILESCc1cn[nH]c1-c1cc(C(=O)Nc2ccc(OC(F)(F)Cl)cc2)cnc1N1CC[C@@H](O)C1
InChIInChI=1S/C21H20ClF2N5O3/c1-12-9-26-28-18(12)17-8-13(10-25-19(17)29-7-6-15(30)11-29)20(31)27-14-2-4-16(5-3-14)32-21(22,23)24/h2-5,8-10,15,30H,6-7,11H2,1H3,(H,26,28)(H,27,31)/t15-/m1/s1
InChIKeyPADIZHXRALJGAQ-OAHLLOKOSA-N
MW463.87 g/mol
LogP3.77
Rot. Bonds6

About N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-(4-methyl-1H-pyrazol-5-yl)pyridine-3-carboxamide

N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-(4-methyl-1H-pyrazol-5-yl)pyridine-3-carboxamide (PubChem CID 72545603) has the molecular formula C21H20ClF2N5O3 and a molecular weight of 463.87 g/mol. Its IUPAC name is N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-(4-methyl-1H-pyrazol-5-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-(4-methyl-1H-pyrazol-5-yl)pyridine-3-carboxamide
PubChem CID72545603
Molecular FormulaC21H20ClF2N5O3
Molecular Weight463.87 g/mol
Exact Mass463.12
IUPAC NameN-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-(4-methyl-1H-pyrazol-5-yl)pyridine-3-carboxamide
SMILESCc1cn[nH]c1-c1cc(C(=O)Nc2ccc(OC(F)(F)Cl)cc2)cnc1N1CC[C@@H](O)C1
InChIInChI=1S/C21H20ClF2N5O3/c1-12-9-26-28-18(12)17-8-13(10-25-19(17)29-7-6-15(30)11-29)20(31)27-14-2-4-16(5-3-14)32-21(22,23)24/h2-5,8-10,15,30H,6-7,11H2,1H3,(H,26,28)(H,27,31)/t15-/m1/s1
InChIKeyPADIZHXRALJGAQ-OAHLLOKOSA-N
XLogP3.77
TPSA103.37 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.87
LogP ≤ 53.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-(4-methyl-1H-pyrazol-5-yl)pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-(4-methyl-1H-pyrazol-5-yl)pyridine-3-carboxamide?
The IUPAC name of N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-(4-methyl-1H-pyrazol-5-yl)pyridine-3-carboxamide (CID 72545603) is N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-(4-methyl-1H-pyrazol-5-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-(4-methyl-1H-pyrazol-5-yl)pyridine-3-carboxamide?
The canonical SMILES for N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-(4-methyl-1H-pyrazol-5-yl)pyridine-3-carboxamide is Cc1cn[nH]c1-c1cc(C(=O)Nc2ccc(OC(F)(F)Cl)cc2)cnc1N1CC[C@@H](O)C1.
What is the InChIKey of N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-(4-methyl-1H-pyrazol-5-yl)pyridine-3-carboxamide?
The InChIKey is PADIZHXRALJGAQ-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H20ClF2N5O3/c1-12-9-26-28-18(12)17-8-13(10-25-19(17)29-7-6-15(30)11-29)20(31)27-14-2-4-16(5-3-14)32-21(22,23)24/h2-5,8-10,15,30H,6-7,11H2,1H3,(H,26,28)(H,27,31)/t15-/m1/s1.
What are the key properties of N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-(4-methyl-1H-pyrazol-5-yl)pyridine-3-carboxamide?
N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-(4-methyl-1H-pyrazol-5-yl)pyridine-3-carboxamide has a molecular weight of 463.87 g/mol, XLogP of 3.77, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-(4-methyl-1H-pyrazol-5-yl)pyridine-3-carboxamide is sourced from PubChem (CID 72545603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).