(Z)-2-amino-1-[amino-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]amino]pent-1-en-3-one

C16H21N5O — CID 175622793

IUPAC(Z)-2-amino-1-[amino-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]amino]pent-1-en-3-one
SMILESCCC(=O)/C(N)=C/N(N)Cc1cn2cc(C3CC3)ccc2n1
InChIInChI=1S/C16H21N5O/c1-2-15(22)14(17)10-21(18)9-13-8-20-7-12(11-3-4-11)5-6-16(20)19-13/h5-8,10-11H,2-4,9,17-18H2,1H3/b14-10-
InChIKeyORDNXAMILOSAOP-UVTDQMKNSA-N
MW299.38 g/mol
LogP1.67
Rot. Bonds6

About (Z)-2-amino-1-[amino-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]amino]pent-1-en-3-one

(Z)-2-amino-1-[amino-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]amino]pent-1-en-3-one (PubChem CID 175622793) has the molecular formula C16H21N5O and a molecular weight of 299.38 g/mol. Its IUPAC name is (Z)-2-amino-1-[amino-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]amino]pent-1-en-3-one.

Molecular Properties

Compound Name(Z)-2-amino-1-[amino-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]amino]pent-1-en-3-one
PubChem CID175622793
Molecular FormulaC16H21N5O
Molecular Weight299.38 g/mol
Exact Mass299.17
IUPAC Name(Z)-2-amino-1-[amino-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]amino]pent-1-en-3-one
SMILESCCC(=O)/C(N)=C/N(N)Cc1cn2cc(C3CC3)ccc2n1
InChIInChI=1S/C16H21N5O/c1-2-15(22)14(17)10-21(18)9-13-8-20-7-12(11-3-4-11)5-6-16(20)19-13/h5-8,10-11H,2-4,9,17-18H2,1H3/b14-10-
InChIKeyORDNXAMILOSAOP-UVTDQMKNSA-N
XLogP1.67
TPSA89.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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)-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-(3-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-6-yl)prop-2-enamide
CID 165131278
(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-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-[(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
ethyl 2-amino-2-[[2-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)acetyl]hydrazinylidene]acetate
CID 150821073
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
2-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)-2,2-difluoroacetamide
CID 151599463
(Z)-1-[amino-[(8-bromo-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]amino]prop-1-en-2-amine;ethyl formate
CID 153344026
ethyl 4-chloro-6-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methoxy]pyrimidine-2-carboxylate
CID 165130837

Frequently Asked Questions

What is the IUPAC name of (Z)-2-amino-1-[amino-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]amino]pent-1-en-3-one?
The IUPAC name of (Z)-2-amino-1-[amino-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]amino]pent-1-en-3-one (CID 175622793) is (Z)-2-amino-1-[amino-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]amino]pent-1-en-3-one.
What is the SMILES notation for (Z)-2-amino-1-[amino-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]amino]pent-1-en-3-one?
The canonical SMILES for (Z)-2-amino-1-[amino-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]amino]pent-1-en-3-one is CCC(=O)/C(N)=C/N(N)Cc1cn2cc(C3CC3)ccc2n1.
What is the InChIKey of (Z)-2-amino-1-[amino-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]amino]pent-1-en-3-one?
The InChIKey is ORDNXAMILOSAOP-UVTDQMKNSA-N. The full InChI is InChI=1S/C16H21N5O/c1-2-15(22)14(17)10-21(18)9-13-8-20-7-12(11-3-4-11)5-6-16(20)19-13/h5-8,10-11H,2-4,9,17-18H2,1H3/b14-10-.
What are the key properties of (Z)-2-amino-1-[amino-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]amino]pent-1-en-3-one?
(Z)-2-amino-1-[amino-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]amino]pent-1-en-3-one has a molecular weight of 299.38 g/mol, XLogP of 1.67, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-amino-1-[amino-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]amino]pent-1-en-3-one is sourced from PubChem (CID 175622793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).