N-[amino-[2-amino-5-fluoro-6-(5-methoxypyrazolo[1,5-a]pyridin-3-yl)-3-pyridinyl]methylidene]cyclopropanecarboxamide

C18H17FN6O2 — CID 143953052

IUPACN-[amino-[2-amino-5-fluoro-6-(5-methoxypyrazolo[1,5-a]pyridin-3-yl)-3-pyridinyl]methylidene]cyclopropanecarboxamide
SMILESCOc1ccn2ncc(-c3nc(N)c(/C(N)=N/C(=O)C4CC4)cc3F)c2c1
InChIInChI=1S/C18H17FN6O2/c1-27-10-4-5-25-14(6-10)12(8-22-25)15-13(19)7-11(16(20)23-15)17(21)24-18(26)9-2-3-9/h4-9H,2-3H2,1H3,(H2,20,23)(H2,21,24,26)
InChIKeyJRWSCMSJMPDFRX-UHFFFAOYSA-N
MW368.37 g/mol
LogP1.77
Rot. Bonds4

About N-[amino-[2-amino-5-fluoro-6-(5-methoxypyrazolo[1,5-a]pyridin-3-yl)-3-pyridinyl]methylidene]cyclopropanecarboxamide

N-[amino-[2-amino-5-fluoro-6-(5-methoxypyrazolo[1,5-a]pyridin-3-yl)-3-pyridinyl]methylidene]cyclopropanecarboxamide (PubChem CID 143953052) has the molecular formula C18H17FN6O2 and a molecular weight of 368.37 g/mol. Its IUPAC name is N-[amino-[2-amino-5-fluoro-6-(5-methoxypyrazolo[1,5-a]pyridin-3-yl)-3-pyridinyl]methylidene]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[amino-[2-amino-5-fluoro-6-(5-methoxypyrazolo[1,5-a]pyridin-3-yl)-3-pyridinyl]methylidene]cyclopropanecarboxamide
PubChem CID143953052
Molecular FormulaC18H17FN6O2
Molecular Weight368.37 g/mol
Exact Mass368.14
IUPAC NameN-[amino-[2-amino-5-fluoro-6-(5-methoxypyrazolo[1,5-a]pyridin-3-yl)-3-pyridinyl]methylidene]cyclopropanecarboxamide
SMILESCOc1ccn2ncc(-c3nc(N)c(/C(N)=N/C(=O)C4CC4)cc3F)c2c1
InChIInChI=1S/C18H17FN6O2/c1-27-10-4-5-25-14(6-10)12(8-22-25)15-13(19)7-11(16(20)23-15)17(21)24-18(26)9-2-3-9/h4-9H,2-3H2,1H3,(H2,20,23)(H2,21,24,26)
InChIKeyJRWSCMSJMPDFRX-UHFFFAOYSA-N
XLogP1.77
TPSA120.89 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.37
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[amino-[2-amino-5-fluoro-6-(5-methoxypyrazolo[1,5-a]pyridin-3-yl)-3-pyridinyl]methylidene]cyclopropanecarboxamide?
The IUPAC name of N-[amino-[2-amino-5-fluoro-6-(5-methoxypyrazolo[1,5-a]pyridin-3-yl)-3-pyridinyl]methylidene]cyclopropanecarboxamide (CID 143953052) is N-[amino-[2-amino-5-fluoro-6-(5-methoxypyrazolo[1,5-a]pyridin-3-yl)-3-pyridinyl]methylidene]cyclopropanecarboxamide.
What is the SMILES notation for N-[amino-[2-amino-5-fluoro-6-(5-methoxypyrazolo[1,5-a]pyridin-3-yl)-3-pyridinyl]methylidene]cyclopropanecarboxamide?
The canonical SMILES for N-[amino-[2-amino-5-fluoro-6-(5-methoxypyrazolo[1,5-a]pyridin-3-yl)-3-pyridinyl]methylidene]cyclopropanecarboxamide is COc1ccn2ncc(-c3nc(N)c(/C(N)=N/C(=O)C4CC4)cc3F)c2c1.
What is the InChIKey of N-[amino-[2-amino-5-fluoro-6-(5-methoxypyrazolo[1,5-a]pyridin-3-yl)-3-pyridinyl]methylidene]cyclopropanecarboxamide?
The InChIKey is JRWSCMSJMPDFRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN6O2/c1-27-10-4-5-25-14(6-10)12(8-22-25)15-13(19)7-11(16(20)23-15)17(21)24-18(26)9-2-3-9/h4-9H,2-3H2,1H3,(H2,20,23)(H2,21,24,26).
What are the key properties of N-[amino-[2-amino-5-fluoro-6-(5-methoxypyrazolo[1,5-a]pyridin-3-yl)-3-pyridinyl]methylidene]cyclopropanecarboxamide?
N-[amino-[2-amino-5-fluoro-6-(5-methoxypyrazolo[1,5-a]pyridin-3-yl)-3-pyridinyl]methylidene]cyclopropanecarboxamide has a molecular weight of 368.37 g/mol, XLogP of 1.77, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[amino-[2-amino-5-fluoro-6-(5-methoxypyrazolo[1,5-a]pyridin-3-yl)-3-pyridinyl]methylidene]cyclopropanecarboxamide is sourced from PubChem (CID 143953052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).