(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

C21H26N8O — CID 165131278

IUPAC(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
SMILESCc1[nH]nc2c1CCC2NC(=O)/C(N)=C/N(N)Cc1cn2cc(C3CC3)ccc2n1
InChIInChI=1S/C21H26N8O/c1-12-16-5-6-18(20(16)27-26-12)25-21(30)17(22)11-29(23)10-15-9-28-8-14(13-2-3-13)4-7-19(28)24-15/h4,7-9,11,13,18H,2-3,5-6,10,22-23H2,1H3,(H,25,30)(H,26,27)/b17-11-
InChIKeyKEXSTUXLOPBPCQ-BOPFTXTBSA-N
MW406.49 g/mol
LogP1.52
Rot. Bonds6

About (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

(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 (PubChem CID 165131278) has the molecular formula C21H26N8O and a molecular weight of 406.49 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID165131278
Molecular FormulaC21H26N8O
Molecular Weight406.49 g/mol
Exact Mass406.22
IUPAC Name(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
SMILESCc1[nH]nc2c1CCC2NC(=O)/C(N)=C/N(N)Cc1cn2cc(C3CC3)ccc2n1
InChIInChI=1S/C21H26N8O/c1-12-16-5-6-18(20(16)27-26-12)25-21(30)17(22)11-29(23)10-15-9-28-8-14(13-2-3-13)4-7-19(28)24-15/h4,7-9,11,13,18H,2-3,5-6,10,22-23H2,1H3,(H,25,30)(H,26,27)/b17-11-
InChIKeyKEXSTUXLOPBPCQ-BOPFTXTBSA-N
XLogP1.52
TPSA130.36 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 51.52
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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-1-[amino-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]amino]pent-1-en-3-one
CID 175622793
(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)-3-[amino-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]amino]prop-2-ene-1,2-diamine;ethane
CID 165133239
(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-[(5-cyano-3-fluoro-2-methoxy-4-pyridinyl)methyl]prop-2-enamide
CID 156708832
(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
1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-N-[(6R)-3-methyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazol-6-yl]triazole-4-carboxamide
CID 156661083
(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
methyl 3-cyclopropyl-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxylate
CID 139487985
ethyl 1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxylate
CID 139487437
ethane;ethyl 1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxylate
CID 156707965
ethyl 2-amino-2-[[2-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)acetyl]hydrazinylidene]acetate
CID 150821073

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-(3-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-6-yl)prop-2-enamide?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is Cc1[nH]nc2c1CCC2NC(=O)/C(N)=C/N(N)Cc1cn2cc(C3CC3)ccc2n1.
What is the InChIKey of (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?
The InChIKey is KEXSTUXLOPBPCQ-BOPFTXTBSA-N. The full InChI is InChI=1S/C21H26N8O/c1-12-16-5-6-18(20(16)27-26-12)25-21(30)17(22)11-29(23)10-15-9-28-8-14(13-2-3-13)4-7-19(28)24-15/h4,7-9,11,13,18H,2-3,5-6,10,22-23H2,1H3,(H,25,30)(H,26,27)/b17-11-.
What are the key properties of (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?
(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 has a molecular weight of 406.49 g/mol, XLogP of 1.52, 6 rotatable bonds, 4 hydrogen bond donors, and 7 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-(3-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-6-yl)prop-2-enamide is sourced from PubChem (CID 165131278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).