N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3R)-3-fluoropyrrolidin-1-yl]-5-(3-methyl-1,2,3,4-tetrahydropyrazin-2-yl)pyridine-3-carboxamide

C22H23ClF3N5O2 — CID 162613470

IUPACN-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3R)-3-fluoropyrrolidin-1-yl]-5-(3-methyl-1,2,3,4-tetrahydropyrazin-2-yl)pyridine-3-carboxamide
SMILESCC1NC=CNC1c1cc(C(=O)Nc2ccc(OC(F)(F)Cl)cc2)cnc1N1CC[C@@H](F)C1
InChIInChI=1S/C22H23ClF3N5O2/c1-13-19(28-8-7-27-13)18-10-14(11-29-20(18)31-9-6-15(24)12-31)21(32)30-16-2-4-17(5-3-16)33-22(23,25)26/h2-5,7-8,10-11,13,15,19,27-28H,6,9,12H2,1H3,(H,30,32)/t13?,15-,19?/m1/s1
InChIKeyWWHXFRLRDKKHPL-SHBDPFAUSA-N
MW481.91 g/mol
LogP4.14
Rot. Bonds6

About N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3R)-3-fluoropyrrolidin-1-yl]-5-(3-methyl-1,2,3,4-tetrahydropyrazin-2-yl)pyridine-3-carboxamide

N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3R)-3-fluoropyrrolidin-1-yl]-5-(3-methyl-1,2,3,4-tetrahydropyrazin-2-yl)pyridine-3-carboxamide (PubChem CID 162613470) has the molecular formula C22H23ClF3N5O2 and a molecular weight of 481.91 g/mol. Its IUPAC name is N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3R)-3-fluoropyrrolidin-1-yl]-5-(3-methyl-1,2,3,4-tetrahydropyrazin-2-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3R)-3-fluoropyrrolidin-1-yl]-5-(3-methyl-1,2,3,4-tetrahydropyrazin-2-yl)pyridine-3-carboxamide
PubChem CID162613470
Molecular FormulaC22H23ClF3N5O2
Molecular Weight481.91 g/mol
Exact Mass481.15
IUPAC NameN-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3R)-3-fluoropyrrolidin-1-yl]-5-(3-methyl-1,2,3,4-tetrahydropyrazin-2-yl)pyridine-3-carboxamide
SMILESCC1NC=CNC1c1cc(C(=O)Nc2ccc(OC(F)(F)Cl)cc2)cnc1N1CC[C@@H](F)C1
InChIInChI=1S/C22H23ClF3N5O2/c1-13-19(28-8-7-27-13)18-10-14(11-29-20(18)31-9-6-15(24)12-31)21(32)30-16-2-4-17(5-3-16)33-22(23,25)26/h2-5,7-8,10-11,13,15,19,27-28H,6,9,12H2,1H3,(H,30,32)/t13?,15-,19?/m1/s1
InChIKeyWWHXFRLRDKKHPL-SHBDPFAUSA-N
XLogP4.14
TPSA78.52 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.91
LogP ≤ 54.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3R)-3-fluoropyrrolidin-1-yl]-5-(3-methyl-1,2,3,4-tetrahydropyrazin-2-yl)pyridine-3-carboxamide?
The IUPAC name of N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3R)-3-fluoropyrrolidin-1-yl]-5-(3-methyl-1,2,3,4-tetrahydropyrazin-2-yl)pyridine-3-carboxamide (CID 162613470) is N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3R)-3-fluoropyrrolidin-1-yl]-5-(3-methyl-1,2,3,4-tetrahydropyrazin-2-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3R)-3-fluoropyrrolidin-1-yl]-5-(3-methyl-1,2,3,4-tetrahydropyrazin-2-yl)pyridine-3-carboxamide?
The canonical SMILES for N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3R)-3-fluoropyrrolidin-1-yl]-5-(3-methyl-1,2,3,4-tetrahydropyrazin-2-yl)pyridine-3-carboxamide is CC1NC=CNC1c1cc(C(=O)Nc2ccc(OC(F)(F)Cl)cc2)cnc1N1CC[C@@H](F)C1.
What is the InChIKey of N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3R)-3-fluoropyrrolidin-1-yl]-5-(3-methyl-1,2,3,4-tetrahydropyrazin-2-yl)pyridine-3-carboxamide?
The InChIKey is WWHXFRLRDKKHPL-SHBDPFAUSA-N. The full InChI is InChI=1S/C22H23ClF3N5O2/c1-13-19(28-8-7-27-13)18-10-14(11-29-20(18)31-9-6-15(24)12-31)21(32)30-16-2-4-17(5-3-16)33-22(23,25)26/h2-5,7-8,10-11,13,15,19,27-28H,6,9,12H2,1H3,(H,30,32)/t13?,15-,19?/m1/s1.
What are the key properties of N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3R)-3-fluoropyrrolidin-1-yl]-5-(3-methyl-1,2,3,4-tetrahydropyrazin-2-yl)pyridine-3-carboxamide?
N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3R)-3-fluoropyrrolidin-1-yl]-5-(3-methyl-1,2,3,4-tetrahydropyrazin-2-yl)pyridine-3-carboxamide has a molecular weight of 481.91 g/mol, XLogP of 4.14, 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-fluoropyrrolidin-1-yl]-5-(3-methyl-1,2,3,4-tetrahydropyrazin-2-yl)pyridine-3-carboxamide is sourced from PubChem (CID 162613470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).