5-chloro-N-[5-[(2R)-2-(2,5-difluorophenyl)-2-ethylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]pyridine-2-carboxamide

C24H21ClF2N6O — CID 139496386

IUPAC5-chloro-N-[5-[(2R)-2-(2,5-difluorophenyl)-2-ethylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]pyridine-2-carboxamide
SMILESCC[C@]1(c2cc(F)ccc2F)CCCN1c1ccn2ncc(NC(=O)c3ccc(Cl)cn3)c2n1
InChIInChI=1S/C24H21ClF2N6O/c1-2-24(17-12-16(26)5-6-18(17)27)9-3-10-32(24)21-8-11-33-22(31-21)20(14-29-33)30-23(34)19-7-4-15(25)13-28-19/h4-8,11-14H,2-3,9-10H2,1H3,(H,30,34)/t24-/m1/s1
InChIKeyQNHZLWOVHCWRTA-XMMPIXPASA-N
MW482.92 g/mol
LogP5.21
Rot. Bonds5

About 5-chloro-N-[5-[(2R)-2-(2,5-difluorophenyl)-2-ethylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]pyridine-2-carboxamide

5-chloro-N-[5-[(2R)-2-(2,5-difluorophenyl)-2-ethylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]pyridine-2-carboxamide (PubChem CID 139496386) has the molecular formula C24H21ClF2N6O and a molecular weight of 482.92 g/mol. Its IUPAC name is 5-chloro-N-[5-[(2R)-2-(2,5-difluorophenyl)-2-ethylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[5-[(2R)-2-(2,5-difluorophenyl)-2-ethylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]pyridine-2-carboxamide
PubChem CID139496386
Molecular FormulaC24H21ClF2N6O
Molecular Weight482.92 g/mol
Exact Mass482.14
IUPAC Name5-chloro-N-[5-[(2R)-2-(2,5-difluorophenyl)-2-ethylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]pyridine-2-carboxamide
SMILESCC[C@]1(c2cc(F)ccc2F)CCCN1c1ccn2ncc(NC(=O)c3ccc(Cl)cn3)c2n1
InChIInChI=1S/C24H21ClF2N6O/c1-2-24(17-12-16(26)5-6-18(17)27)9-3-10-32(24)21-8-11-33-22(31-21)20(14-29-33)30-23(34)19-7-4-15(25)13-28-19/h4-8,11-14H,2-3,9-10H2,1H3,(H,30,34)/t24-/m1/s1
InChIKeyQNHZLWOVHCWRTA-XMMPIXPASA-N
XLogP5.21
TPSA75.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.92
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-chloro-N-[5-[(2R)-2-(2,5-difluorophenyl)-2-ethylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]pyridine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[5-[(2R)-2-(2,5-difluorophenyl)-2-ethylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]pyridine-2-carboxamide?
The IUPAC name of 5-chloro-N-[5-[(2R)-2-(2,5-difluorophenyl)-2-ethylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]pyridine-2-carboxamide (CID 139496386) is 5-chloro-N-[5-[(2R)-2-(2,5-difluorophenyl)-2-ethylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]pyridine-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[5-[(2R)-2-(2,5-difluorophenyl)-2-ethylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]pyridine-2-carboxamide?
The canonical SMILES for 5-chloro-N-[5-[(2R)-2-(2,5-difluorophenyl)-2-ethylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]pyridine-2-carboxamide is CC[C@]1(c2cc(F)ccc2F)CCCN1c1ccn2ncc(NC(=O)c3ccc(Cl)cn3)c2n1.
What is the InChIKey of 5-chloro-N-[5-[(2R)-2-(2,5-difluorophenyl)-2-ethylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]pyridine-2-carboxamide?
The InChIKey is QNHZLWOVHCWRTA-XMMPIXPASA-N. The full InChI is InChI=1S/C24H21ClF2N6O/c1-2-24(17-12-16(26)5-6-18(17)27)9-3-10-32(24)21-8-11-33-22(31-21)20(14-29-33)30-23(34)19-7-4-15(25)13-28-19/h4-8,11-14H,2-3,9-10H2,1H3,(H,30,34)/t24-/m1/s1.
What are the key properties of 5-chloro-N-[5-[(2R)-2-(2,5-difluorophenyl)-2-ethylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]pyridine-2-carboxamide?
5-chloro-N-[5-[(2R)-2-(2,5-difluorophenyl)-2-ethylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]pyridine-2-carboxamide has a molecular weight of 482.92 g/mol, XLogP of 5.21, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[5-[(2R)-2-(2,5-difluorophenyl)-2-ethylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]pyridine-2-carboxamide is sourced from PubChem (CID 139496386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).