3-[2-[[amino-[(Z)-2-aminoprop-1-enyl]amino]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]-2,2-dimethylpropanenitrile

C19H26N6 — CID 156708537

IUPAC3-[2-[[amino-[(Z)-2-aminoprop-1-enyl]amino]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]-2,2-dimethylpropanenitrile
SMILESC/C(N)=C/N(N)Cc1cn2cc(C3CC3)cc(CC(C)(C)C#N)c2n1
InChIInChI=1S/C19H26N6/c1-13(21)8-25(22)11-17-10-24-9-16(14-4-5-14)6-15(18(24)23-17)7-19(2,3)12-20/h6,8-10,14H,4-5,7,11,21-22H2,1-3H3/b13-8-
InChIKeyXZBKKVDAXVUYKI-JYRVWZFOSA-N
MW338.46 g/mol
LogP2.80
Rot. Bonds6

About 3-[2-[[amino-[(Z)-2-aminoprop-1-enyl]amino]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]-2,2-dimethylpropanenitrile

3-[2-[[amino-[(Z)-2-aminoprop-1-enyl]amino]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]-2,2-dimethylpropanenitrile (PubChem CID 156708537) has the molecular formula C19H26N6 and a molecular weight of 338.46 g/mol. Its IUPAC name is 3-[2-[[amino-[(Z)-2-aminoprop-1-enyl]amino]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]-2,2-dimethylpropanenitrile.

Molecular Properties

Compound Name3-[2-[[amino-[(Z)-2-aminoprop-1-enyl]amino]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]-2,2-dimethylpropanenitrile
PubChem CID156708537
Molecular FormulaC19H26N6
Molecular Weight338.46 g/mol
Exact Mass338.22
IUPAC Name3-[2-[[amino-[(Z)-2-aminoprop-1-enyl]amino]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]-2,2-dimethylpropanenitrile
SMILESC/C(N)=C/N(N)Cc1cn2cc(C3CC3)cc(CC(C)(C)C#N)c2n1
InChIInChI=1S/C19H26N6/c1-13(21)8-25(22)11-17-10-24-9-16(14-4-5-14)6-15(18(24)23-17)7-19(2,3)12-20/h6,8-10,14H,4-5,7,11,21-22H2,1-3H3/b13-8-
InChIKeyXZBKKVDAXVUYKI-JYRVWZFOSA-N
XLogP2.80
TPSA96.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(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-(2-oxoethoxymethyl)imidazo[1,2-a]pyridin-2-yl]methyl]amino]prop-2-enal
CID 153343673
3-[2-[[amino-[(Z)-2-aminoprop-1-enyl]amino]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]-2,2-dimethylpropanoic acid;N-[[6-[diazenyl(methanimidoyl)amino]-2-fluoro-3-methoxyphenyl]methyl]formamide
CID 165130829
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)-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-[(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
[8-(chloromethyl)-6-cyclopropylimidazo[1,2-a]pyridin-2-yl]methyl carbamate
CID 175507912
2-(aminomethyl)-6-cyclopropylimidazo[1,2-a]pyridine-8-carbonitrile;hydrochloride
CID 165130814
(Z)-2-amino-1-[amino-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]amino]pent-1-en-3-one
CID 175622793
[6-cyclopropyl-8-(hydroxymethyl)imidazo[1,2-a]pyridin-2-yl]methyl N-tert-butylcarbamate
CID 170774692
ethyl 2-[2-(aminomethyl)-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]acetate
CID 165131768
1-(6-cyclopropyl-8-methylimidazo[1,2-a]pyridin-2-yl)-N-methylmethanamine
CID 175623441

Frequently Asked Questions

What is the IUPAC name of 3-[2-[[amino-[(Z)-2-aminoprop-1-enyl]amino]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]-2,2-dimethylpropanenitrile?
The IUPAC name of 3-[2-[[amino-[(Z)-2-aminoprop-1-enyl]amino]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]-2,2-dimethylpropanenitrile (CID 156708537) is 3-[2-[[amino-[(Z)-2-aminoprop-1-enyl]amino]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]-2,2-dimethylpropanenitrile.
What is the SMILES notation for 3-[2-[[amino-[(Z)-2-aminoprop-1-enyl]amino]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]-2,2-dimethylpropanenitrile?
The canonical SMILES for 3-[2-[[amino-[(Z)-2-aminoprop-1-enyl]amino]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]-2,2-dimethylpropanenitrile is C/C(N)=C/N(N)Cc1cn2cc(C3CC3)cc(CC(C)(C)C#N)c2n1.
What is the InChIKey of 3-[2-[[amino-[(Z)-2-aminoprop-1-enyl]amino]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]-2,2-dimethylpropanenitrile?
The InChIKey is XZBKKVDAXVUYKI-JYRVWZFOSA-N. The full InChI is InChI=1S/C19H26N6/c1-13(21)8-25(22)11-17-10-24-9-16(14-4-5-14)6-15(18(24)23-17)7-19(2,3)12-20/h6,8-10,14H,4-5,7,11,21-22H2,1-3H3/b13-8-.
What are the key properties of 3-[2-[[amino-[(Z)-2-aminoprop-1-enyl]amino]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]-2,2-dimethylpropanenitrile?
3-[2-[[amino-[(Z)-2-aminoprop-1-enyl]amino]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]-2,2-dimethylpropanenitrile has a molecular weight of 338.46 g/mol, XLogP of 2.80, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[[amino-[(Z)-2-aminoprop-1-enyl]amino]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]-2,2-dimethylpropanenitrile is sourced from PubChem (CID 156708537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).