(Z)-2-amino-3-[amino-[(6-cyclopropyl-8-methyl-[1,3]azaborolo[1,2-a]pyridin-2-yl)methyl]amino]prop-2-enal

C15H19BN4O — CID 153343641

IUPAC(Z)-2-amino-3-[amino-[(6-cyclopropyl-8-methyl-[1,3]azaborolo[1,2-a]pyridin-2-yl)methyl]amino]prop-2-enal
SMILESCc1cc(C2CC2)cn2cc(CN(N)/C=C(\N)C=O)bc12
InChIInChI=1S/C15H19BN4O/c1-10-4-12(11-2-3-11)5-19-6-13(16-15(10)19)7-20(18)8-14(17)9-21/h4-6,8-9,11H,2-3,7,17-18H2,1H3/b14-8-
InChIKeyCVUJOVBWCMHNAR-ZSOIEALJSA-N
MW282.16 g/mol
LogP1.14
Rot. Bonds5

About (Z)-2-amino-3-[amino-[(6-cyclopropyl-8-methyl-[1,3]azaborolo[1,2-a]pyridin-2-yl)methyl]amino]prop-2-enal

(Z)-2-amino-3-[amino-[(6-cyclopropyl-8-methyl-[1,3]azaborolo[1,2-a]pyridin-2-yl)methyl]amino]prop-2-enal (PubChem CID 153343641) has the molecular formula C15H19BN4O and a molecular weight of 282.16 g/mol. Its IUPAC name is (Z)-2-amino-3-[amino-[(6-cyclopropyl-8-methyl-[1,3]azaborolo[1,2-a]pyridin-2-yl)methyl]amino]prop-2-enal.

Molecular Properties

Compound Name(Z)-2-amino-3-[amino-[(6-cyclopropyl-8-methyl-[1,3]azaborolo[1,2-a]pyridin-2-yl)methyl]amino]prop-2-enal
PubChem CID153343641
Molecular FormulaC15H19BN4O
Molecular Weight282.16 g/mol
Exact Mass282.17
IUPAC Name(Z)-2-amino-3-[amino-[(6-cyclopropyl-8-methyl-[1,3]azaborolo[1,2-a]pyridin-2-yl)methyl]amino]prop-2-enal
SMILESCc1cc(C2CC2)cn2cc(CN(N)/C=C(\N)C=O)bc12
InChIInChI=1S/C15H19BN4O/c1-10-4-12(11-2-3-11)5-19-6-13(16-15(10)19)7-20(18)8-14(17)9-21/h4-6,8-9,11H,2-3,7,17-18H2,1H3/b14-8-
InChIKeyCVUJOVBWCMHNAR-ZSOIEALJSA-N
XLogP1.14
TPSA76.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.16
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'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-cyclopropyl-8-(2-oxoethoxymethyl)imidazo[1,2-a]pyridin-2-yl]methyl]amino]prop-2-enal
CID 153343673
(Z)-2-amino-3-[amino-[(6-cyclopropyl-8-methylimidazo[1,2-a]pyridin-2-yl)methyl]amino]prop-2-enal;1-(methylaminomethyl)-8-phosphanylimidazo[1,5-a]pyridin-7-ol
CID 153343842
(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-1-[amino-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]amino]pent-1-en-3-one
CID 175622793
(Z)-3-[amino-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]amino]prop-2-ene-1,2-diamine;ethane
CID 165133239
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
1-(6-cyclopropyl-8-methylimidazo[1,2-a]pyridin-2-yl)-N-methylmethanamine
CID 175623441
CID 153343928
CID 153343928
(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
5-cyclopropyl-2-hydroxy-3-methylbenzaldehyde
CID 129178282
2-(5-cyclopropyl-3-methylindazol-1-yl)acetaldehyde
CID 129229248

Frequently Asked Questions

What is the IUPAC name of (Z)-2-amino-3-[amino-[(6-cyclopropyl-8-methyl-[1,3]azaborolo[1,2-a]pyridin-2-yl)methyl]amino]prop-2-enal?
The IUPAC name of (Z)-2-amino-3-[amino-[(6-cyclopropyl-8-methyl-[1,3]azaborolo[1,2-a]pyridin-2-yl)methyl]amino]prop-2-enal (CID 153343641) is (Z)-2-amino-3-[amino-[(6-cyclopropyl-8-methyl-[1,3]azaborolo[1,2-a]pyridin-2-yl)methyl]amino]prop-2-enal.
What is the SMILES notation for (Z)-2-amino-3-[amino-[(6-cyclopropyl-8-methyl-[1,3]azaborolo[1,2-a]pyridin-2-yl)methyl]amino]prop-2-enal?
The canonical SMILES for (Z)-2-amino-3-[amino-[(6-cyclopropyl-8-methyl-[1,3]azaborolo[1,2-a]pyridin-2-yl)methyl]amino]prop-2-enal is Cc1cc(C2CC2)cn2cc(CN(N)/C=C(\N)C=O)bc12.
What is the InChIKey of (Z)-2-amino-3-[amino-[(6-cyclopropyl-8-methyl-[1,3]azaborolo[1,2-a]pyridin-2-yl)methyl]amino]prop-2-enal?
The InChIKey is CVUJOVBWCMHNAR-ZSOIEALJSA-N. The full InChI is InChI=1S/C15H19BN4O/c1-10-4-12(11-2-3-11)5-19-6-13(16-15(10)19)7-20(18)8-14(17)9-21/h4-6,8-9,11H,2-3,7,17-18H2,1H3/b14-8-.
What are the key properties of (Z)-2-amino-3-[amino-[(6-cyclopropyl-8-methyl-[1,3]azaborolo[1,2-a]pyridin-2-yl)methyl]amino]prop-2-enal?
(Z)-2-amino-3-[amino-[(6-cyclopropyl-8-methyl-[1,3]azaborolo[1,2-a]pyridin-2-yl)methyl]amino]prop-2-enal has a molecular weight of 282.16 g/mol, XLogP of 1.14, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-amino-3-[amino-[(6-cyclopropyl-8-methyl-[1,3]azaborolo[1,2-a]pyridin-2-yl)methyl]amino]prop-2-enal is sourced from PubChem (CID 153343641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).