(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

C23H25N9O — CID 175623437

IUPAC(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
SMILESN#Cc1cc(C2CC2)cn2cc(CN(N)/C=C(\N)C(=O)NC3CCc4c3ccnc4N)nc12
InChIInChI=1S/C23H25N9O/c24-8-14-7-15(13-1-2-13)9-31-10-16(29-22(14)31)11-32(27)12-19(25)23(33)30-20-4-3-18-17(20)5-6-28-21(18)26/h5-7,9-10,12-13,20H,1-4,11,25,27H2,(H2,26,28)(H,30,33)/b19-12-
InChIKeyRKUGWTBKHYFPSQ-UNOMPAQXSA-N
MW443.52 g/mol
LogP1.34
Rot. Bonds6

About (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

(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 (PubChem CID 175623437) has the molecular formula C23H25N9O and a molecular weight of 443.52 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID175623437
Molecular FormulaC23H25N9O
Molecular Weight443.52 g/mol
Exact Mass443.22
IUPAC Name(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
SMILESN#Cc1cc(C2CC2)cn2cc(CN(N)/C=C(\N)C(=O)NC3CCc4c3ccnc4N)nc12
InChIInChI=1S/C23H25N9O/c24-8-14-7-15(13-1-2-13)9-31-10-16(29-22(14)31)11-32(27)12-19(25)23(33)30-20-4-3-18-17(20)5-6-28-21(18)26/h5-7,9-10,12-13,20H,1-4,11,25,27H2,(H2,26,28)(H,30,33)/b19-12-
InChIKeyRKUGWTBKHYFPSQ-UNOMPAQXSA-N
XLogP1.34
TPSA164.38 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.52
LogP ≤ 51.34
H-Bond Donors ≤ 54
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-(3-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-6-yl)prop-2-enamide
CID 165131278
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
2-(aminomethyl)-6-cyclopropylimidazo[1,2-a]pyridine-8-carbonitrile;hydrochloride
CID 165130814
(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
2-(chloromethyl)-6-cyclopropylimidazo[1,2-a]pyridine-8-carbonitrile
CID 139487891
3-[2-[[amino-[(Z)-2-aminoprop-1-enyl]amino]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]-2,2-dimethylpropanenitrile
CID 156708537
(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
(Z)-2-amino-3-[amino-[[6-cyclopropyl-8-(2-oxoethoxymethyl)imidazo[1,2-a]pyridin-2-yl]methyl]amino]prop-2-enal
CID 153343673
(Z)-1-[amino-[(8-bromo-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]amino]prop-1-en-2-amine;ethyl formate
CID 153344026
(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
methyl 2-(aminomethyl)-6-cyclopropylimidazo[1,2-a]pyridine-8-carboxylate;dihydrochloride
CID 165131040
N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-5-[(8-cyano-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-1,3,4-oxadiazole-2-carboxamide
CID 139487371

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is N#Cc1cc(C2CC2)cn2cc(CN(N)/C=C(\N)C(=O)NC3CCc4c3ccnc4N)nc12.
What is the InChIKey of (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?
The InChIKey is RKUGWTBKHYFPSQ-UNOMPAQXSA-N. The full InChI is InChI=1S/C23H25N9O/c24-8-14-7-15(13-1-2-13)9-31-10-16(29-22(14)31)11-32(27)12-19(25)23(33)30-20-4-3-18-17(20)5-6-28-21(18)26/h5-7,9-10,12-13,20H,1-4,11,25,27H2,(H2,26,28)(H,30,33)/b19-12-.
What are the key properties of (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?
(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 has a molecular weight of 443.52 g/mol, XLogP of 1.34, 6 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 175623437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).