N-[5-fluoro-6-(5-methoxypyrazolo[1,5-a]pyridin-3-yl)-1H-pyrazolo[3,4-b]pyridin-3-yl]cyclopropanecarboxamide

C18H15FN6O2 — CID 46183700

IUPACN-[5-fluoro-6-(5-methoxypyrazolo[1,5-a]pyridin-3-yl)-1H-pyrazolo[3,4-b]pyridin-3-yl]cyclopropanecarboxamide
SMILESCOc1ccn2ncc(-c3nc4[nH]nc(NC(=O)C5CC5)c4cc3F)c2c1
InChIInChI=1S/C18H15FN6O2/c1-27-10-4-5-25-14(6-10)12(8-20-25)15-13(19)7-11-16(21-15)23-24-17(11)22-18(26)9-2-3-9/h4-9H,2-3H2,1H3,(H2,21,22,23,24,26)
InChIKeyKFBZSHNWTBRRII-UHFFFAOYSA-N
MW366.36 g/mol
LogP2.77
Rot. Bonds4

About N-[5-fluoro-6-(5-methoxypyrazolo[1,5-a]pyridin-3-yl)-1H-pyrazolo[3,4-b]pyridin-3-yl]cyclopropanecarboxamide

N-[5-fluoro-6-(5-methoxypyrazolo[1,5-a]pyridin-3-yl)-1H-pyrazolo[3,4-b]pyridin-3-yl]cyclopropanecarboxamide (PubChem CID 46183700) has the molecular formula C18H15FN6O2 and a molecular weight of 366.36 g/mol. Its IUPAC name is N-[5-fluoro-6-(5-methoxypyrazolo[1,5-a]pyridin-3-yl)-1H-pyrazolo[3,4-b]pyridin-3-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[5-fluoro-6-(5-methoxypyrazolo[1,5-a]pyridin-3-yl)-1H-pyrazolo[3,4-b]pyridin-3-yl]cyclopropanecarboxamide
PubChem CID46183700
Molecular FormulaC18H15FN6O2
Molecular Weight366.36 g/mol
Exact Mass366.12
IUPAC NameN-[5-fluoro-6-(5-methoxypyrazolo[1,5-a]pyridin-3-yl)-1H-pyrazolo[3,4-b]pyridin-3-yl]cyclopropanecarboxamide
SMILESCOc1ccn2ncc(-c3nc4[nH]nc(NC(=O)C5CC5)c4cc3F)c2c1
InChIInChI=1S/C18H15FN6O2/c1-27-10-4-5-25-14(6-10)12(8-20-25)15-13(19)7-11-16(21-15)23-24-17(11)22-18(26)9-2-3-9/h4-9H,2-3H2,1H3,(H2,21,22,23,24,26)
InChIKeyKFBZSHNWTBRRII-UHFFFAOYSA-N
XLogP2.77
TPSA97.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.36
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-fluoro-6-(5-methoxypyrazolo[1,5-a]pyridin-3-yl)-1H-pyrazolo[3,4-b]pyridin-3-yl]cyclopropanecarboxamide?
The IUPAC name of N-[5-fluoro-6-(5-methoxypyrazolo[1,5-a]pyridin-3-yl)-1H-pyrazolo[3,4-b]pyridin-3-yl]cyclopropanecarboxamide (CID 46183700) is N-[5-fluoro-6-(5-methoxypyrazolo[1,5-a]pyridin-3-yl)-1H-pyrazolo[3,4-b]pyridin-3-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[5-fluoro-6-(5-methoxypyrazolo[1,5-a]pyridin-3-yl)-1H-pyrazolo[3,4-b]pyridin-3-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[5-fluoro-6-(5-methoxypyrazolo[1,5-a]pyridin-3-yl)-1H-pyrazolo[3,4-b]pyridin-3-yl]cyclopropanecarboxamide is COc1ccn2ncc(-c3nc4[nH]nc(NC(=O)C5CC5)c4cc3F)c2c1.
What is the InChIKey of N-[5-fluoro-6-(5-methoxypyrazolo[1,5-a]pyridin-3-yl)-1H-pyrazolo[3,4-b]pyridin-3-yl]cyclopropanecarboxamide?
The InChIKey is KFBZSHNWTBRRII-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN6O2/c1-27-10-4-5-25-14(6-10)12(8-20-25)15-13(19)7-11-16(21-15)23-24-17(11)22-18(26)9-2-3-9/h4-9H,2-3H2,1H3,(H2,21,22,23,24,26).
What are the key properties of N-[5-fluoro-6-(5-methoxypyrazolo[1,5-a]pyridin-3-yl)-1H-pyrazolo[3,4-b]pyridin-3-yl]cyclopropanecarboxamide?
N-[5-fluoro-6-(5-methoxypyrazolo[1,5-a]pyridin-3-yl)-1H-pyrazolo[3,4-b]pyridin-3-yl]cyclopropanecarboxamide has a molecular weight of 366.36 g/mol, XLogP of 2.77, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-fluoro-6-(5-methoxypyrazolo[1,5-a]pyridin-3-yl)-1H-pyrazolo[3,4-b]pyridin-3-yl]cyclopropanecarboxamide is sourced from PubChem (CID 46183700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).