(Z)-4-amino-4-[5-(4-fluoro-1-methylpiperidin-4-yl)-6-methoxypyrazolo[1,5-a]pyridin-3-yl]-2-methylimino-N-(1-pyridin-2-ylethyl)but-3-enamide

C26H32FN7O2 — CID 172631000

IUPAC(Z)-4-amino-4-[5-(4-fluoro-1-methylpiperidin-4-yl)-6-methoxypyrazolo[1,5-a]pyridin-3-yl]-2-methylimino-N-(1-pyridin-2-ylethyl)but-3-enamide
SMILESC/N=C(/C=C(\N)c1cnn2cc(OC)c(C3(F)CCN(C)CC3)cc12)C(=O)NC(C)c1ccccn1
InChIInChI=1S/C26H32FN7O2/c1-17(21-7-5-6-10-30-21)32-25(35)22(29-2)14-20(28)18-15-31-34-16-24(36-4)19(13-23(18)34)26(27)8-11-33(3)12-9-26/h5-7,10,13-17H,8-9,11-12,28H2,1-4H3,(H,32,35)/b20-14-,29-22-
InChIKeyDYIIGSLRGDXXOE-LXHOIXDQSA-N
MW493.59 g/mol
LogP2.88
Rot. Bonds7

About (Z)-4-amino-4-[5-(4-fluoro-1-methylpiperidin-4-yl)-6-methoxypyrazolo[1,5-a]pyridin-3-yl]-2-methylimino-N-(1-pyridin-2-ylethyl)but-3-enamide

(Z)-4-amino-4-[5-(4-fluoro-1-methylpiperidin-4-yl)-6-methoxypyrazolo[1,5-a]pyridin-3-yl]-2-methylimino-N-(1-pyridin-2-ylethyl)but-3-enamide (PubChem CID 172631000) has the molecular formula C26H32FN7O2 and a molecular weight of 493.59 g/mol. Its IUPAC name is (Z)-4-amino-4-[5-(4-fluoro-1-methylpiperidin-4-yl)-6-methoxypyrazolo[1,5-a]pyridin-3-yl]-2-methylimino-N-(1-pyridin-2-ylethyl)but-3-enamide.

Molecular Properties

Compound Name(Z)-4-amino-4-[5-(4-fluoro-1-methylpiperidin-4-yl)-6-methoxypyrazolo[1,5-a]pyridin-3-yl]-2-methylimino-N-(1-pyridin-2-ylethyl)but-3-enamide
PubChem CID172631000
Molecular FormulaC26H32FN7O2
Molecular Weight493.59 g/mol
Exact Mass493.26
IUPAC Name(Z)-4-amino-4-[5-(4-fluoro-1-methylpiperidin-4-yl)-6-methoxypyrazolo[1,5-a]pyridin-3-yl]-2-methylimino-N-(1-pyridin-2-ylethyl)but-3-enamide
SMILESC/N=C(/C=C(\N)c1cnn2cc(OC)c(C3(F)CCN(C)CC3)cc12)C(=O)NC(C)c1ccccn1
InChIInChI=1S/C26H32FN7O2/c1-17(21-7-5-6-10-30-21)32-25(35)22(29-2)14-20(28)18-15-31-34-16-24(36-4)19(13-23(18)34)26(27)8-11-33(3)12-9-26/h5-7,10,13-17H,8-9,11-12,28H2,1-4H3,(H,32,35)/b20-14-,29-22-
InChIKeyDYIIGSLRGDXXOE-LXHOIXDQSA-N
XLogP2.88
TPSA110.14 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.59
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze (Z)-4-amino-4-[5-(4-fluoro-1-methylpiperidin-4-yl)-6-methoxypyrazolo[1,5-a]pyridin-3-yl]-2-methylimino-N-(1-pyridin-2-ylethyl)but-3-enamide with MolForge

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Related Compounds

(3Z,5Z)-4,6-diamino-5-[4-(4-fluoro-1-methylpiperidin-4-yl)-5-methoxy-2-pyridinyl]-2-methyliminohexa-3,5-dienal
CID 172631120
4-amino-2-methoxy-N-[(1R)-1-pyridin-2-ylethyl]benzamide
CID 107207958
7-chloro-6-methoxy-4-(1-pyridin-2-ylethylamino)quinoline-3-carboxamide
CID 155897183
N-[(1R)-1-pyridin-2-ylethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 39991149
1-amino-N-(1-pyridin-2-ylethyl)cyclobutane-1-carboxamide
CID 81179767
1-[(1S)-1-(2-methoxyphenyl)ethyl]-3-[(1S)-1-pyridin-2-ylethyl]urea
CID 94054970
1-[(Z)-N'-hydroxycarbamimidoyl]-N-(1-pyridin-2-ylethyl)cyclopropane-1-carboxamide
CID 80597057
2-(1-aminocyclopentyl)-N-(1-pyridin-2-ylethyl)acetamide
CID 64686366
7-iodo-6-methoxy-4-(1-pyridin-2-ylethylamino)quinoline-3-carboxamide
CID 171147857
N-(1-pyridin-2-ylethyl)piperidine-1-carboxamide
CID 113221669
2-hydroxyethyl N-[(1R)-1-pyridin-2-ylethyl]carbamate
CID 81406872
methyl 3-[5-(4-fluoropiperidin-4-yl)-6-methoxypyrazolo[1,5-a]pyridin-3-yl]-1-methylpyrazole-5-carboxylate
CID 172631121

Frequently Asked Questions

What is the IUPAC name of (Z)-4-amino-4-[5-(4-fluoro-1-methylpiperidin-4-yl)-6-methoxypyrazolo[1,5-a]pyridin-3-yl]-2-methylimino-N-(1-pyridin-2-ylethyl)but-3-enamide?
The IUPAC name of (Z)-4-amino-4-[5-(4-fluoro-1-methylpiperidin-4-yl)-6-methoxypyrazolo[1,5-a]pyridin-3-yl]-2-methylimino-N-(1-pyridin-2-ylethyl)but-3-enamide (CID 172631000) is (Z)-4-amino-4-[5-(4-fluoro-1-methylpiperidin-4-yl)-6-methoxypyrazolo[1,5-a]pyridin-3-yl]-2-methylimino-N-(1-pyridin-2-ylethyl)but-3-enamide.
What is the SMILES notation for (Z)-4-amino-4-[5-(4-fluoro-1-methylpiperidin-4-yl)-6-methoxypyrazolo[1,5-a]pyridin-3-yl]-2-methylimino-N-(1-pyridin-2-ylethyl)but-3-enamide?
The canonical SMILES for (Z)-4-amino-4-[5-(4-fluoro-1-methylpiperidin-4-yl)-6-methoxypyrazolo[1,5-a]pyridin-3-yl]-2-methylimino-N-(1-pyridin-2-ylethyl)but-3-enamide is C/N=C(/C=C(\N)c1cnn2cc(OC)c(C3(F)CCN(C)CC3)cc12)C(=O)NC(C)c1ccccn1.
What is the InChIKey of (Z)-4-amino-4-[5-(4-fluoro-1-methylpiperidin-4-yl)-6-methoxypyrazolo[1,5-a]pyridin-3-yl]-2-methylimino-N-(1-pyridin-2-ylethyl)but-3-enamide?
The InChIKey is DYIIGSLRGDXXOE-LXHOIXDQSA-N. The full InChI is InChI=1S/C26H32FN7O2/c1-17(21-7-5-6-10-30-21)32-25(35)22(29-2)14-20(28)18-15-31-34-16-24(36-4)19(13-23(18)34)26(27)8-11-33(3)12-9-26/h5-7,10,13-17H,8-9,11-12,28H2,1-4H3,(H,32,35)/b20-14-,29-22-.
What are the key properties of (Z)-4-amino-4-[5-(4-fluoro-1-methylpiperidin-4-yl)-6-methoxypyrazolo[1,5-a]pyridin-3-yl]-2-methylimino-N-(1-pyridin-2-ylethyl)but-3-enamide?
(Z)-4-amino-4-[5-(4-fluoro-1-methylpiperidin-4-yl)-6-methoxypyrazolo[1,5-a]pyridin-3-yl]-2-methylimino-N-(1-pyridin-2-ylethyl)but-3-enamide has a molecular weight of 493.59 g/mol, XLogP of 2.88, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-amino-4-[5-(4-fluoro-1-methylpiperidin-4-yl)-6-methoxypyrazolo[1,5-a]pyridin-3-yl]-2-methylimino-N-(1-pyridin-2-ylethyl)but-3-enamide is sourced from PubChem (CID 172631000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).