(Z)-2-amino-3-[[6-cyclopropyl-8-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methylamino]-N-[(3-fluoro-4-methoxy-2-pyridinyl)methyl]prop-2-enamide

C26H33FN8O2 — CID 165130925

IUPAC(Z)-2-amino-3-[[6-cyclopropyl-8-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methylamino]-N-[(3-fluoro-4-methoxy-2-pyridinyl)methyl]prop-2-enamide
SMILESCOc1ccnc(CNC(=O)/C(N)=C/NCc2cn3cc(C4CC4)cc(N4CCN(C)CC4)c3n2)c1F
InChIInChI=1S/C26H33FN8O2/c1-33-7-9-34(10-8-33)22-11-18(17-3-4-17)15-35-16-19(32-25(22)35)12-29-13-20(28)26(36)31-14-21-24(27)23(37-2)5-6-30-21/h5-6,11,13,15-17,29H,3-4,7-10,12,14,28H2,1-2H3,(H,31,36)/b20-13-
InChIKeyOWLYLQJSMVZCOL-MOSHPQCFSA-N
MW508.60 g/mol
LogP1.71
Rot. Bonds9

About (Z)-2-amino-3-[[6-cyclopropyl-8-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methylamino]-N-[(3-fluoro-4-methoxy-2-pyridinyl)methyl]prop-2-enamide

(Z)-2-amino-3-[[6-cyclopropyl-8-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methylamino]-N-[(3-fluoro-4-methoxy-2-pyridinyl)methyl]prop-2-enamide (PubChem CID 165130925) has the molecular formula C26H33FN8O2 and a molecular weight of 508.60 g/mol. Its IUPAC name is (Z)-2-amino-3-[[6-cyclopropyl-8-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methylamino]-N-[(3-fluoro-4-methoxy-2-pyridinyl)methyl]prop-2-enamide.

Molecular Properties

Compound Name(Z)-2-amino-3-[[6-cyclopropyl-8-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methylamino]-N-[(3-fluoro-4-methoxy-2-pyridinyl)methyl]prop-2-enamide
PubChem CID165130925
Molecular FormulaC26H33FN8O2
Molecular Weight508.60 g/mol
Exact Mass508.27
IUPAC Name(Z)-2-amino-3-[[6-cyclopropyl-8-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methylamino]-N-[(3-fluoro-4-methoxy-2-pyridinyl)methyl]prop-2-enamide
SMILESCOc1ccnc(CNC(=O)/C(N)=C/NCc2cn3cc(C4CC4)cc(N4CCN(C)CC4)c3n2)c1F
InChIInChI=1S/C26H33FN8O2/c1-33-7-9-34(10-8-33)22-11-18(17-3-4-17)15-35-16-19(32-25(22)35)12-29-13-20(28)26(36)31-14-21-24(27)23(37-2)5-6-30-21/h5-6,11,13,15-17,29H,3-4,7-10,12,14,28H2,1-2H3,(H,31,36)/b20-13-
InChIKeyOWLYLQJSMVZCOL-MOSHPQCFSA-N
XLogP1.71
TPSA113.05 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.60
LogP ≤ 51.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (Z)-2-amino-3-[[6-cyclopropyl-8-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methylamino]-N-[(3-fluoro-4-methoxy-2-pyridinyl)methyl]prop-2-enamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-amino-3-[[6-cyclopropyl-8-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methylamino]-N-[(3-fluoro-4-methoxy-2-pyridinyl)methyl]prop-2-enamide?
The IUPAC name of (Z)-2-amino-3-[[6-cyclopropyl-8-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methylamino]-N-[(3-fluoro-4-methoxy-2-pyridinyl)methyl]prop-2-enamide (CID 165130925) is (Z)-2-amino-3-[[6-cyclopropyl-8-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methylamino]-N-[(3-fluoro-4-methoxy-2-pyridinyl)methyl]prop-2-enamide.
What is the SMILES notation for (Z)-2-amino-3-[[6-cyclopropyl-8-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methylamino]-N-[(3-fluoro-4-methoxy-2-pyridinyl)methyl]prop-2-enamide?
The canonical SMILES for (Z)-2-amino-3-[[6-cyclopropyl-8-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methylamino]-N-[(3-fluoro-4-methoxy-2-pyridinyl)methyl]prop-2-enamide is COc1ccnc(CNC(=O)/C(N)=C/NCc2cn3cc(C4CC4)cc(N4CCN(C)CC4)c3n2)c1F.
What is the InChIKey of (Z)-2-amino-3-[[6-cyclopropyl-8-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methylamino]-N-[(3-fluoro-4-methoxy-2-pyridinyl)methyl]prop-2-enamide?
The InChIKey is OWLYLQJSMVZCOL-MOSHPQCFSA-N. The full InChI is InChI=1S/C26H33FN8O2/c1-33-7-9-34(10-8-33)22-11-18(17-3-4-17)15-35-16-19(32-25(22)35)12-29-13-20(28)26(36)31-14-21-24(27)23(37-2)5-6-30-21/h5-6,11,13,15-17,29H,3-4,7-10,12,14,28H2,1-2H3,(H,31,36)/b20-13-.
What are the key properties of (Z)-2-amino-3-[[6-cyclopropyl-8-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methylamino]-N-[(3-fluoro-4-methoxy-2-pyridinyl)methyl]prop-2-enamide?
(Z)-2-amino-3-[[6-cyclopropyl-8-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methylamino]-N-[(3-fluoro-4-methoxy-2-pyridinyl)methyl]prop-2-enamide has a molecular weight of 508.60 g/mol, XLogP of 1.71, 9 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-amino-3-[[6-cyclopropyl-8-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methylamino]-N-[(3-fluoro-4-methoxy-2-pyridinyl)methyl]prop-2-enamide is sourced from PubChem (CID 165130925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).