(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

C24H31N8O2P — CID 153343842

IUPAC(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
SMILESCNCc1ncn2ccc(O)c(P)c12.Cc1cc(C2CC2)cn2cc(CN(N)/C=C(\N)C=O)nc12
InChIInChI=1S/C15H19N5O.C9H12N3OP/c1-10-4-12(11-2-3-11)5-19-7-14(18-15(10)19)8-20(17)6-13(16)9-21;1-10-4-6-8-9(14)7(13)2-3-12(8)5-11-6/h4-7,9,11H,2-3,8,16-17H2,1H3;2-3,5,10,13H,4,14H2,1H3/b13-6-;
InChIKeyNSLNNGVSLNCNBC-FJMCHERXSA-N
MW494.54 g/mol
LogP1.45
Rot. Bonds7

About (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

(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 (PubChem CID 153343842) has the molecular formula C24H31N8O2P and a molecular weight of 494.54 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID153343842
Molecular FormulaC24H31N8O2P
Molecular Weight494.54 g/mol
Exact Mass494.23
IUPAC Name(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
SMILESCNCc1ncn2ccc(O)c(P)c12.Cc1cc(C2CC2)cn2cc(CN(N)/C=C(\N)C=O)nc12
InChIInChI=1S/C15H19N5O.C9H12N3OP/c1-10-4-12(11-2-3-11)5-19-7-14(18-15(10)19)8-20(17)6-13(16)9-21;1-10-4-6-8-9(14)7(13)2-3-12(8)5-11-6/h4-7,9,11H,2-3,8,16-17H2,1H3;2-3,5,10,13H,4,14H2,1H3/b13-6-;
InChIKeyNSLNNGVSLNCNBC-FJMCHERXSA-N
XLogP1.45
TPSA139.21 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.54
LogP ≤ 51.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

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'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze (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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is CNCc1ncn2ccc(O)c(P)c12.Cc1cc(C2CC2)cn2cc(CN(N)/C=C(\N)C=O)nc12.
What is the InChIKey of (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?
The InChIKey is NSLNNGVSLNCNBC-FJMCHERXSA-N. The full InChI is InChI=1S/C15H19N5O.C9H12N3OP/c1-10-4-12(11-2-3-11)5-19-7-14(18-15(10)19)8-20(17)6-13(16)9-21;1-10-4-6-8-9(14)7(13)2-3-12(8)5-11-6/h4-7,9,11H,2-3,8,16-17H2,1H3;2-3,5,10,13H,4,14H2,1H3/b13-6-;.
What are the key properties of (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?
(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 has a molecular weight of 494.54 g/mol, XLogP of 1.45, 7 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 153343842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).