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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[5-fluoro-6-(5-methoxypyrazolo[1,5-a]pyridin-3-yl)-1H-pyrazolo[3,4-b]pyridin-3-yl]cyclopropanecarboxamide
CID 46183700
5-fluoro-2-(2-hydroxyethylamino)-6-(5-methoxypyrazolo[1,5-a]pyridin-3-yl)pyridine-3-carboximidamide
CID 143779921
N-[5-fluoro-6-(5-methoxypyrazolo[1,5-a]pyridin-3-yl)-1H-pyrazolo[3,4-b]pyridin-3-yl]-2-(3-fluorophenyl)acetamide
CID 68559121
N-[5-fluoro-6-(5-methoxypyrazolo[1,5-a]pyridin-3-yl)-1-propylpyrazolo[3,4-b]pyridin-3-yl]benzamide
CID 70259320
5-fluoro-6-(5-methoxypyrazolo[1,5-a]pyridin-3-yl)-N-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-1H-pyrazolo[3,4-b]pyridin-3-amine
CID 59528066
2-[4-(5-methoxypyrazolo[1,5-a]pyridin-3-yl)anilino]ethanol
CID 71242933
3-ethyl-5-methoxypyrazolo[1,5-a]pyridine
CID 169163749
1-(3-fluorocyclobutyl)-7-methoxy-2-methylindolizine-3-carboxamide
CID 178115449
N-[amino-[3-[[[5-(2-chloro-4,6-dimethylpyrimidin-5-yl)pyrazolo[1,5-a]pyridin-3-yl]-hydroxymethyl]amino]-4-methylphenyl]methylidene]cyclopropanecarboxamide
CID 176704713
3-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-amine
CID 141199628
1-(2-fluoro-4-methoxybenzoyl)piperidine-4-carbothioamide
CID 102883173
methyl 5-methylpyrazolo[1,5-a]pyridine-3-carboxylate
CID 53399588

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).