(Z)-2-amino-3-[amino-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]amino]-N-[(5-cyano-3-fluoro-2-methoxy-4-pyridinyl)methyl]prop-2-enamide

C22H23FN8O2 — CID 156708832

IUPAC(Z)-2-amino-3-[amino-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]amino]-N-[(5-cyano-3-fluoro-2-methoxy-4-pyridinyl)methyl]prop-2-enamide
SMILESCOc1ncc(C#N)c(CNC(=O)/C(N)=C/N(N)Cc2cn3cc(C4CC4)ccc3n2)c1F
InChIInChI=1S/C22H23FN8O2/c1-33-22-20(23)17(15(6-24)7-28-22)8-27-21(32)18(25)12-31(26)11-16-10-30-9-14(13-2-3-13)4-5-19(30)29-16/h4-5,7,9-10,12-13H,2-3,8,11,25-26H2,1H3,(H,27,32)/b18-12-
InChIKeyBXFJHLDHBDDPFB-PDGQHHTCSA-N
MW450.48 g/mol
LogP1.42
Rot. Bonds8

About (Z)-2-amino-3-[amino-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]amino]-N-[(5-cyano-3-fluoro-2-methoxy-4-pyridinyl)methyl]prop-2-enamide

(Z)-2-amino-3-[amino-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]amino]-N-[(5-cyano-3-fluoro-2-methoxy-4-pyridinyl)methyl]prop-2-enamide (PubChem CID 156708832) has the molecular formula C22H23FN8O2 and a molecular weight of 450.48 g/mol. Its IUPAC name is (Z)-2-amino-3-[amino-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]amino]-N-[(5-cyano-3-fluoro-2-methoxy-4-pyridinyl)methyl]prop-2-enamide.

Molecular Properties

Compound Name(Z)-2-amino-3-[amino-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]amino]-N-[(5-cyano-3-fluoro-2-methoxy-4-pyridinyl)methyl]prop-2-enamide
PubChem CID156708832
Molecular FormulaC22H23FN8O2
Molecular Weight450.48 g/mol
Exact Mass450.19
IUPAC Name(Z)-2-amino-3-[amino-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]amino]-N-[(5-cyano-3-fluoro-2-methoxy-4-pyridinyl)methyl]prop-2-enamide
SMILESCOc1ncc(C#N)c(CNC(=O)/C(N)=C/N(N)Cc2cn3cc(C4CC4)ccc3n2)c1F
InChIInChI=1S/C22H23FN8O2/c1-33-22-20(23)17(15(6-24)7-28-22)8-27-21(32)18(25)12-31(26)11-16-10-30-9-14(13-2-3-13)4-5-19(30)29-16/h4-5,7,9-10,12-13H,2-3,8,11,25-26H2,1H3,(H,27,32)/b18-12-
InChIKeyBXFJHLDHBDDPFB-PDGQHHTCSA-N
XLogP1.42
TPSA147.59 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.48
LogP ≤ 51.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(Z)-2-amino-3-[amino-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]amino]-N-[(6-bromo-2-fluoro-3-methoxyphenyl)methyl]prop-2-enamide
CID 156708594
(Z)-2-amino-3-[amino-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]amino]-N-[(4-carbamimidoyl-2,6-dimethylphenyl)methyl]prop-2-enamide
CID 175621974
3-[2-[[amino-[(Z)-2-amino-3-[(6-cyano-2-fluoro-3-methoxyphenyl)methylamino]-3-oxoprop-1-enyl]amino]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]propanoic acid
CID 156708649
(Z)-2-amino-3-[amino-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]amino]-N-[[3-bromo-6-[diazenyl(methanimidoyl)amino]-2-fluorophenyl]methyl]prop-2-enamide
CID 175622217
(Z)-2-amino-1-[amino-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]amino]pent-1-en-3-one
CID 175622793
(Z)-2-amino-3-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl-(methylamino)amino]-N-[[2-fluoro-3-methoxy-6-(triazol-1-yl)phenyl]methyl]prop-2-enamide
CID 175621254
(Z)-2-amino-3-[amino-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]amino]-N-(3-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-6-yl)prop-2-enamide
CID 165131278
(Z)-3-[amino-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]amino]prop-2-ene-1,2-diamine;ethane
CID 165133239
5-[2-[[[(Z)-2-amino-3-[amino-[(6-propan-2-ylimidazo[1,2-a]pyridin-2-yl)methyl]amino]prop-2-enoyl]amino]methyl]-3-fluoro-4-methoxyphenyl]pyrimidine-2-carboxylic acid
CID 156708767
(Z)-2-amino-3-[amino-[[6-cyclopropyl-8-[hydroxy(oxetan-3-yl)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]amino]-N-[[2-fluoro-3-methoxy-6-(tetrazol-1-yl)phenyl]methyl]prop-2-enamide
CID 165130801
(Z)-2-amino-3-[amino-[(8-cyano-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]amino]-N-(1-amino-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl)prop-2-enamide
CID 175623437
(Z)-3-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]-N-[[6-[(1E,3Z)-1,4-diaminobuta-1,3-dien-2-yl]-2-fluoro-3-methoxyphenyl]methyl]-2-hydrazinylprop-2-enamide;molecular hydrogen
CID 165131042

Frequently Asked Questions

What is the IUPAC name of (Z)-2-amino-3-[amino-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]amino]-N-[(5-cyano-3-fluoro-2-methoxy-4-pyridinyl)methyl]prop-2-enamide?
The IUPAC name of (Z)-2-amino-3-[amino-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]amino]-N-[(5-cyano-3-fluoro-2-methoxy-4-pyridinyl)methyl]prop-2-enamide (CID 156708832) is (Z)-2-amino-3-[amino-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]amino]-N-[(5-cyano-3-fluoro-2-methoxy-4-pyridinyl)methyl]prop-2-enamide.
What is the SMILES notation for (Z)-2-amino-3-[amino-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]amino]-N-[(5-cyano-3-fluoro-2-methoxy-4-pyridinyl)methyl]prop-2-enamide?
The canonical SMILES for (Z)-2-amino-3-[amino-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]amino]-N-[(5-cyano-3-fluoro-2-methoxy-4-pyridinyl)methyl]prop-2-enamide is COc1ncc(C#N)c(CNC(=O)/C(N)=C/N(N)Cc2cn3cc(C4CC4)ccc3n2)c1F.
What is the InChIKey of (Z)-2-amino-3-[amino-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]amino]-N-[(5-cyano-3-fluoro-2-methoxy-4-pyridinyl)methyl]prop-2-enamide?
The InChIKey is BXFJHLDHBDDPFB-PDGQHHTCSA-N. The full InChI is InChI=1S/C22H23FN8O2/c1-33-22-20(23)17(15(6-24)7-28-22)8-27-21(32)18(25)12-31(26)11-16-10-30-9-14(13-2-3-13)4-5-19(30)29-16/h4-5,7,9-10,12-13H,2-3,8,11,25-26H2,1H3,(H,27,32)/b18-12-.
What are the key properties of (Z)-2-amino-3-[amino-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]amino]-N-[(5-cyano-3-fluoro-2-methoxy-4-pyridinyl)methyl]prop-2-enamide?
(Z)-2-amino-3-[amino-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]amino]-N-[(5-cyano-3-fluoro-2-methoxy-4-pyridinyl)methyl]prop-2-enamide has a molecular weight of 450.48 g/mol, XLogP of 1.42, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-amino-3-[amino-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]amino]-N-[(5-cyano-3-fluoro-2-methoxy-4-pyridinyl)methyl]prop-2-enamide is sourced from PubChem (CID 156708832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).