7-[[2-(5-chloro-2,4-difluorophenyl)-4-pyridinyl]amino]-N-methylpyrazolo[4,3-b]pyridine-1-carboxamide

C19H13ClF2N6O — CID 54670412

IUPAC7-[[2-(5-chloro-2,4-difluorophenyl)-4-pyridinyl]amino]-N-methylpyrazolo[4,3-b]pyridine-1-carboxamide
SMILESCNC(=O)n1ncc2nccc(Nc3ccnc(-c4cc(Cl)c(F)cc4F)c3)c21
InChIInChI=1S/C19H13ClF2N6O/c1-23-19(29)28-18-15(3-5-25-17(18)9-26-28)27-10-2-4-24-16(6-10)11-7-12(20)14(22)8-13(11)21/h2-9H,1H3,(H,23,29)(H,24,25,27)
InChIKeyHRDUCHUSOLNCJL-UHFFFAOYSA-N
MW414.80 g/mol
LogP4.36
Rot. Bonds3

About 7-[[2-(5-chloro-2,4-difluorophenyl)-4-pyridinyl]amino]-N-methylpyrazolo[4,3-b]pyridine-1-carboxamide

7-[[2-(5-chloro-2,4-difluorophenyl)-4-pyridinyl]amino]-N-methylpyrazolo[4,3-b]pyridine-1-carboxamide (PubChem CID 54670412) has the molecular formula C19H13ClF2N6O and a molecular weight of 414.80 g/mol. Its IUPAC name is 7-[[2-(5-chloro-2,4-difluorophenyl)-4-pyridinyl]amino]-N-methylpyrazolo[4,3-b]pyridine-1-carboxamide.

Molecular Properties

Compound Name7-[[2-(5-chloro-2,4-difluorophenyl)-4-pyridinyl]amino]-N-methylpyrazolo[4,3-b]pyridine-1-carboxamide
PubChem CID54670412
Molecular FormulaC19H13ClF2N6O
Molecular Weight414.80 g/mol
Exact Mass414.08
IUPAC Name7-[[2-(5-chloro-2,4-difluorophenyl)-4-pyridinyl]amino]-N-methylpyrazolo[4,3-b]pyridine-1-carboxamide
SMILESCNC(=O)n1ncc2nccc(Nc3ccnc(-c4cc(Cl)c(F)cc4F)c3)c21
InChIInChI=1S/C19H13ClF2N6O/c1-23-19(29)28-18-15(3-5-25-17(18)9-26-28)27-10-2-4-24-16(6-10)11-7-12(20)14(22)8-13(11)21/h2-9H,1H3,(H,23,29)(H,24,25,27)
InChIKeyHRDUCHUSOLNCJL-UHFFFAOYSA-N
XLogP4.36
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.80
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

CID 54671256
CID 54671256
CID 145925651
CID 145925651
CID 54671062
CID 54671062
CID 164608769
CID 164608769
CID 11710909
CID 11710909
CID 11719845
CID 11719845
CID 53236674
CID 53236674
CID 53236676
CID 53236676
CID 54670034
CID 54670034
CID 54670128
CID 54670128
CID 54670129
CID 54670129
CID 54670130
CID 54670130

Frequently Asked Questions

What is the IUPAC name of 7-[[2-(5-chloro-2,4-difluorophenyl)-4-pyridinyl]amino]-N-methylpyrazolo[4,3-b]pyridine-1-carboxamide?
The IUPAC name of 7-[[2-(5-chloro-2,4-difluorophenyl)-4-pyridinyl]amino]-N-methylpyrazolo[4,3-b]pyridine-1-carboxamide (CID 54670412) is 7-[[2-(5-chloro-2,4-difluorophenyl)-4-pyridinyl]amino]-N-methylpyrazolo[4,3-b]pyridine-1-carboxamide.
What is the SMILES notation for 7-[[2-(5-chloro-2,4-difluorophenyl)-4-pyridinyl]amino]-N-methylpyrazolo[4,3-b]pyridine-1-carboxamide?
The canonical SMILES for 7-[[2-(5-chloro-2,4-difluorophenyl)-4-pyridinyl]amino]-N-methylpyrazolo[4,3-b]pyridine-1-carboxamide is CNC(=O)n1ncc2nccc(Nc3ccnc(-c4cc(Cl)c(F)cc4F)c3)c21.
What is the InChIKey of 7-[[2-(5-chloro-2,4-difluorophenyl)-4-pyridinyl]amino]-N-methylpyrazolo[4,3-b]pyridine-1-carboxamide?
The InChIKey is HRDUCHUSOLNCJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClF2N6O/c1-23-19(29)28-18-15(3-5-25-17(18)9-26-28)27-10-2-4-24-16(6-10)11-7-12(20)14(22)8-13(11)21/h2-9H,1H3,(H,23,29)(H,24,25,27).
What are the key properties of 7-[[2-(5-chloro-2,4-difluorophenyl)-4-pyridinyl]amino]-N-methylpyrazolo[4,3-b]pyridine-1-carboxamide?
7-[[2-(5-chloro-2,4-difluorophenyl)-4-pyridinyl]amino]-N-methylpyrazolo[4,3-b]pyridine-1-carboxamide has a molecular weight of 414.80 g/mol, XLogP of 4.36, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[2-(5-chloro-2,4-difluorophenyl)-4-pyridinyl]amino]-N-methylpyrazolo[4,3-b]pyridine-1-carboxamide is sourced from PubChem (CID 54670412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).