7-[[2-(5-chloro-2-fluorophenyl)-5-methyl-4-pyridinyl]amino]-N-propan-2-ylpyrazolo[4,3-b]pyridine-1-carboxamide

C22H20ClFN6O — CID 54670228

IUPAC7-[[2-(5-chloro-2-fluorophenyl)-5-methyl-4-pyridinyl]amino]-N-propan-2-ylpyrazolo[4,3-b]pyridine-1-carboxamide
SMILESCc1cnc(-c2cc(Cl)ccc2F)cc1Nc1ccnc2cnn(C(=O)NC(C)C)c12
InChIInChI=1S/C22H20ClFN6O/c1-12(2)28-22(31)30-21-17(6-7-25-20(21)11-27-30)29-18-9-19(26-10-13(18)3)15-8-14(23)4-5-16(15)24/h4-12H,1-3H3,(H,28,31)(H,25,26,29)
InChIKeyLOTWDKHZWXAVMY-UHFFFAOYSA-N
MW438.89 g/mol
LogP5.30
Rot. Bonds4

About 7-[[2-(5-chloro-2-fluorophenyl)-5-methyl-4-pyridinyl]amino]-N-propan-2-ylpyrazolo[4,3-b]pyridine-1-carboxamide

7-[[2-(5-chloro-2-fluorophenyl)-5-methyl-4-pyridinyl]amino]-N-propan-2-ylpyrazolo[4,3-b]pyridine-1-carboxamide (PubChem CID 54670228) has the molecular formula C22H20ClFN6O and a molecular weight of 438.89 g/mol. Its IUPAC name is 7-[[2-(5-chloro-2-fluorophenyl)-5-methyl-4-pyridinyl]amino]-N-propan-2-ylpyrazolo[4,3-b]pyridine-1-carboxamide.

Molecular Properties

Compound Name7-[[2-(5-chloro-2-fluorophenyl)-5-methyl-4-pyridinyl]amino]-N-propan-2-ylpyrazolo[4,3-b]pyridine-1-carboxamide
PubChem CID54670228
Molecular FormulaC22H20ClFN6O
Molecular Weight438.89 g/mol
Exact Mass438.14
IUPAC Name7-[[2-(5-chloro-2-fluorophenyl)-5-methyl-4-pyridinyl]amino]-N-propan-2-ylpyrazolo[4,3-b]pyridine-1-carboxamide
SMILESCc1cnc(-c2cc(Cl)ccc2F)cc1Nc1ccnc2cnn(C(=O)NC(C)C)c12
InChIInChI=1S/C22H20ClFN6O/c1-12(2)28-22(31)30-21-17(6-7-25-20(21)11-27-30)29-18-9-19(26-10-13(18)3)15-8-14(23)4-5-16(15)24/h4-12H,1-3H3,(H,28,31)(H,25,26,29)
InChIKeyLOTWDKHZWXAVMY-UHFFFAOYSA-N
XLogP5.30
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.89
LogP ≤ 55.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-[[2-(5-chloro-2-fluorophenyl)-5-methyl-4-pyridinyl]amino]-N-propan-2-ylpyrazolo[4,3-b]pyridine-1-carboxamide?
The IUPAC name of 7-[[2-(5-chloro-2-fluorophenyl)-5-methyl-4-pyridinyl]amino]-N-propan-2-ylpyrazolo[4,3-b]pyridine-1-carboxamide (CID 54670228) is 7-[[2-(5-chloro-2-fluorophenyl)-5-methyl-4-pyridinyl]amino]-N-propan-2-ylpyrazolo[4,3-b]pyridine-1-carboxamide.
What is the SMILES notation for 7-[[2-(5-chloro-2-fluorophenyl)-5-methyl-4-pyridinyl]amino]-N-propan-2-ylpyrazolo[4,3-b]pyridine-1-carboxamide?
The canonical SMILES for 7-[[2-(5-chloro-2-fluorophenyl)-5-methyl-4-pyridinyl]amino]-N-propan-2-ylpyrazolo[4,3-b]pyridine-1-carboxamide is Cc1cnc(-c2cc(Cl)ccc2F)cc1Nc1ccnc2cnn(C(=O)NC(C)C)c12.
What is the InChIKey of 7-[[2-(5-chloro-2-fluorophenyl)-5-methyl-4-pyridinyl]amino]-N-propan-2-ylpyrazolo[4,3-b]pyridine-1-carboxamide?
The InChIKey is LOTWDKHZWXAVMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClFN6O/c1-12(2)28-22(31)30-21-17(6-7-25-20(21)11-27-30)29-18-9-19(26-10-13(18)3)15-8-14(23)4-5-16(15)24/h4-12H,1-3H3,(H,28,31)(H,25,26,29).
What are the key properties of 7-[[2-(5-chloro-2-fluorophenyl)-5-methyl-4-pyridinyl]amino]-N-propan-2-ylpyrazolo[4,3-b]pyridine-1-carboxamide?
7-[[2-(5-chloro-2-fluorophenyl)-5-methyl-4-pyridinyl]amino]-N-propan-2-ylpyrazolo[4,3-b]pyridine-1-carboxamide has a molecular weight of 438.89 g/mol, XLogP of 5.30, 4 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-fluorophenyl)-5-methyl-4-pyridinyl]amino]-N-propan-2-ylpyrazolo[4,3-b]pyridine-1-carboxamide is sourced from PubChem (CID 54670228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).