1-(1H-indazol-4-yl)-N-methyl-3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]but-3-en-1-imine

C21H21N5 — CID 155702804

IUPAC1-(1H-indazol-4-yl)-N-methyl-3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]but-3-en-1-imine
SMILESC=C(C/C(=N\C)c1cccc2[nH]ncc12)Cc1cn2cc(C)ccc2n1
InChIInChI=1S/C21H21N5/c1-14-7-8-21-24-16(13-26(21)12-14)9-15(2)10-20(22-3)17-5-4-6-19-18(17)11-23-25-19/h4-8,11-13H,2,9-10H2,1,3H3,(H,23,25)/b22-20+
InChIKeyMMXYTDGRWKYSLN-LSDHQDQOSA-N
MW343.43 g/mol
LogP4.13
Rot. Bonds5

About 1-(1H-indazol-4-yl)-N-methyl-3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]but-3-en-1-imine

1-(1H-indazol-4-yl)-N-methyl-3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]but-3-en-1-imine (PubChem CID 155702804) has the molecular formula C21H21N5 and a molecular weight of 343.43 g/mol. Its IUPAC name is 1-(1H-indazol-4-yl)-N-methyl-3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]but-3-en-1-imine.

Molecular Properties

Compound Name1-(1H-indazol-4-yl)-N-methyl-3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]but-3-en-1-imine
PubChem CID155702804
Molecular FormulaC21H21N5
Molecular Weight343.43 g/mol
Exact Mass343.18
IUPAC Name1-(1H-indazol-4-yl)-N-methyl-3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]but-3-en-1-imine
SMILESC=C(C/C(=N\C)c1cccc2[nH]ncc12)Cc1cn2cc(C)ccc2n1
InChIInChI=1S/C21H21N5/c1-14-7-8-21-24-16(13-26(21)12-14)9-15(2)10-20(22-3)17-5-4-6-19-18(17)11-23-25-19/h4-8,11-13H,2,9-10H2,1,3H3,(H,23,25)/b22-20+
InChIKeyMMXYTDGRWKYSLN-LSDHQDQOSA-N
XLogP4.13
TPSA58.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[[6-(1H-pyrazol-5-yl)imidazo[1,2-a]pyridin-2-yl]methyl]-1H-indazole-4-carboxamide
CID 155167440
N-[[6-(pyridin-3-ylamino)imidazo[1,2-a]pyridin-2-yl]methyl]-1H-indazole-4-carboxamide
CID 155167366
1-(1H-indazol-4-yl)-3-[6-(3-phenylpropyl)imidazo[1,2-a]pyridin-2-yl]propan-1-one
CID 170391571
2-[[4-(5-methoxy-1H-indazol-4-yl)triazol-1-yl]methyl]-6-methylimidazo[1,2-a]pyridine
CID 175276141
4-[4-[1-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]-1H-indazol-6-yl]morpholine
CID 175276114
N-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-2-oxo-1H-quinoline-4-carboxamide
CID 70756563
2-methyl-N-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]propanamide
CID 47342907
N-(1H-indazol-7-yl)-4-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide
CID 24669367
1-[[[2-[[4-(1H-indazol-4-yl)triazol-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methylamino]methyl]cyclohexan-1-ol
CID 155167449
ethane;5-(1H-indazol-7-yl)-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-2,7-naphthyridin-1-one
CID 168970750
N-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]pentanamide
CID 47342909
3-(6-methylimidazo[1,2-a]pyridin-2-yl)propanoic acid
CID 4912874

Frequently Asked Questions

What is the IUPAC name of 1-(1H-indazol-4-yl)-N-methyl-3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]but-3-en-1-imine?
The IUPAC name of 1-(1H-indazol-4-yl)-N-methyl-3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]but-3-en-1-imine (CID 155702804) is 1-(1H-indazol-4-yl)-N-methyl-3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]but-3-en-1-imine.
What is the SMILES notation for 1-(1H-indazol-4-yl)-N-methyl-3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]but-3-en-1-imine?
The canonical SMILES for 1-(1H-indazol-4-yl)-N-methyl-3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]but-3-en-1-imine is C=C(C/C(=N\C)c1cccc2[nH]ncc12)Cc1cn2cc(C)ccc2n1.
What is the InChIKey of 1-(1H-indazol-4-yl)-N-methyl-3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]but-3-en-1-imine?
The InChIKey is MMXYTDGRWKYSLN-LSDHQDQOSA-N. The full InChI is InChI=1S/C21H21N5/c1-14-7-8-21-24-16(13-26(21)12-14)9-15(2)10-20(22-3)17-5-4-6-19-18(17)11-23-25-19/h4-8,11-13H,2,9-10H2,1,3H3,(H,23,25)/b22-20+.
What are the key properties of 1-(1H-indazol-4-yl)-N-methyl-3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]but-3-en-1-imine?
1-(1H-indazol-4-yl)-N-methyl-3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]but-3-en-1-imine has a molecular weight of 343.43 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-indazol-4-yl)-N-methyl-3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]but-3-en-1-imine is sourced from PubChem (CID 155702804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).