7-[[6-[(Z)-1-amino-3-[[(2S)-azepan-2-yl]methylimino]prop-1-enyl]-3-pyridinyl]methyl]-2-pyridin-2-ylimidazo[1,2-a]pyridine-3-carbaldehyde;7-chloro-2-pyridin-2-ylimidazo[1,2-a]pyridine-3-carbaldehyde;(Z)-3-[[(2S)-1-methylpyrrolidin-2-yl]methylimino]-2-phenylprop-1-en-1-amine

C57H60ClN13O2 — CID 170977906

IUPAC7-[[6-[(Z)-1-amino-3-[[(2S)-azepan-2-yl]methylimino]prop-1-enyl]-3-pyridinyl]methyl]-2-pyridin-2-ylimidazo[1,2-a]pyridine-3-carbaldehyde;7-chloro-2-pyridin-2-ylimidazo[1,2-a]pyridine-3-carbaldehyde;(Z)-3-[[(2S)-1-methylpyrrolidin-2-yl]methylimino]-2-phenylprop-1-en-1-amine
SMILESCN1CCC[C@H]1C/N=C/C(=C\N)c1ccccc1.N/C(=C\C=N\C[C@@H]1CCCCCN1)c1ccc(Cc2ccn3c(C=O)c(-c4ccccn4)nc3c2)cn1.O=Cc1c(-c2ccccn2)nc2cc(Cl)ccn12
InChIInChI=1S/C29H31N7O.C15H21N3.C13H8ClN3O/c30-24(10-14-31-19-23-6-2-1-4-12-32-23)25-9-8-22(18-34-25)16-21-11-15-36-27(20-37)29(35-28(36)17-21)26-7-3-5-13-33-26;1-18-9-5-8-15(18)12-17-11-14(10-16)13-6-3-2-4-7-13;14-9-4-6-17-11(8-18)13(16-12(17)7-9)10-3-1-2-5-15-10/h3,5,7-11,13-15,17-18,20,23,32H,1-2,4,6,12,16,19,30H2;2-4,6-7,10-11,15H,5,8-9,12,16H2,1H3;1-8H/b24-10-,31-14+;14-10+,17-11+;/t23-;15-;/m00./s1
InChIKeyIDAQXPJSHNKCGT-BGVCFLBDSA-N
MW994.65 g/mol
LogP9.11
Rot. Bonds14

About 7-[[6-[(Z)-1-amino-3-[[(2S)-azepan-2-yl]methylimino]prop-1-enyl]-3-pyridinyl]methyl]-2-pyridin-2-ylimidazo[1,2-a]pyridine-3-carbaldehyde;7-chloro-2-pyridin-2-ylimidazo[1,2-a]pyridine-3-carbaldehyde;(Z)-3-[[(2S)-1-methylpyrrolidin-2-yl]methylimino]-2-phenylprop-1-en-1-amine

7-[[6-[(Z)-1-amino-3-[[(2S)-azepan-2-yl]methylimino]prop-1-enyl]-3-pyridinyl]methyl]-2-pyridin-2-ylimidazo[1,2-a]pyridine-3-carbaldehyde;7-chloro-2-pyridin-2-ylimidazo[1,2-a]pyridine-3-carbaldehyde;(Z)-3-[[(2S)-1-methylpyrrolidin-2-yl]methylimino]-2-phenylprop-1-en-1-amine (PubChem CID 170977906) has the molecular formula C57H60ClN13O2 and a molecular weight of 994.65 g/mol. Its IUPAC name is 7-[[6-[(Z)-1-amino-3-[[(2S)-azepan-2-yl]methylimino]prop-1-enyl]-3-pyridinyl]methyl]-2-pyridin-2-ylimidazo[1,2-a]pyridine-3-carbaldehyde;7-chloro-2-pyridin-2-ylimidazo[1,2-a]pyridine-3-carbaldehyde;(Z)-3-[[(2S)-1-methylpyrrolidin-2-yl]methylimino]-2-phenylprop-1-en-1-amine.

Molecular Properties

Compound Name7-[[6-[(Z)-1-amino-3-[[(2S)-azepan-2-yl]methylimino]prop-1-enyl]-3-pyridinyl]methyl]-2-pyridin-2-ylimidazo[1,2-a]pyridine-3-carbaldehyde;7-chloro-2-pyridin-2-ylimidazo[1,2-a]pyridine-3-carbaldehyde;(Z)-3-[[(2S)-1-methylpyrrolidin-2-yl]methylimino]-2-phenylprop-1-en-1-amine
PubChem CID170977906
Molecular FormulaC57H60ClN13O2
Molecular Weight994.65 g/mol
Exact Mass993.47
IUPAC Name7-[[6-[(Z)-1-amino-3-[[(2S)-azepan-2-yl]methylimino]prop-1-enyl]-3-pyridinyl]methyl]-2-pyridin-2-ylimidazo[1,2-a]pyridine-3-carbaldehyde;7-chloro-2-pyridin-2-ylimidazo[1,2-a]pyridine-3-carbaldehyde;(Z)-3-[[(2S)-1-methylpyrrolidin-2-yl]methylimino]-2-phenylprop-1-en-1-amine
SMILESCN1CCC[C@H]1C/N=C/C(=C\N)c1ccccc1.N/C(=C\C=N\C[C@@H]1CCCCCN1)c1ccc(Cc2ccn3c(C=O)c(-c4ccccn4)nc3c2)cn1.O=Cc1c(-c2ccccn2)nc2cc(Cl)ccn12
InChIInChI=1S/C29H31N7O.C15H21N3.C13H8ClN3O/c30-24(10-14-31-19-23-6-2-1-4-12-32-23)25-9-8-22(18-34-25)16-21-11-15-36-27(20-37)29(35-28(36)17-21)26-7-3-5-13-33-26;1-18-9-5-8-15(18)12-17-11-14(10-16)13-6-3-2-4-7-13;14-9-4-6-17-11(8-18)13(16-12(17)7-9)10-3-1-2-5-15-10/h3,5,7-11,13-15,17-18,20,23,32H,1-2,4,6,12,16,19,30H2;2-4,6-7,10-11,15H,5,8-9,12,16H2,1H3;1-8H/b24-10-,31-14+;14-10+,17-11+;/t23-;15-;/m00./s1
InChIKeyIDAQXPJSHNKCGT-BGVCFLBDSA-N
XLogP9.11
TPSA199.44 Ų
H-Bond Donors3
H-Bond Acceptors15
Rotatable Bonds14
Heavy Atoms73
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500994.65
LogP ≤ 59.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

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

Analyze 7-[[6-[(Z)-1-amino-3-[[(2S)-azepan-2-yl]methylimino]prop-1-enyl]-3-pyridinyl]methyl]-2-pyridin-2-ylimidazo[1,2-a]pyridine-3-carbaldehyde;7-chloro-2-pyridin-2-ylimidazo[1,2-a]pyridine-3-carbaldehyde;(Z)-3-[[(2S)-1-methylpyrrolidin-2-yl]methylimino]-2-phenylprop-1-en-1-amine with MolForge

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Related Compounds

7-((5-(3,8-diazabicyclo [3.2.1]octan-3-yl)pyridin-2-yl)amino)-4-(1-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1H-pyrrolo[3,4-c]pyridin-1-Fone
CID 156163510
3-[1-[[2-(5-Chloro-2-pyridinyl)imidazo[1,2-a]pyridin-3-yl]methyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]-2-fluorobenzaldehyde
CID 176172754
(4S,11S,18S)-7,14-dimethyl-6,13,20-tris[[6-(5-methyl-2-pyridinyl)-3-pyridinyl]methyl]-4,11,18-tri(propan-2-yl)-3,6,10,13,17,20,22,23,24-nonazatetracyclo[17.2.1.15,8.112,15]tetracosa-1(21),5(24),7,12(23),14,19(22)-hexaene-2,9,16-trione
CID 135013747
CID 139077887
CID 139077887
4-[2-(4-Chlorophenyl)-6-pyridin-2-ylimidazo[1,2-a]pyridine-3-carbonyl]piperazin-2-one
CID 121309945
5-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-3-(pyridin-2-ylmethyl)pyridine-2-carboxamide
CID 123147124
5-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-3-[(4-methylpiperazin-1-yl)methyl]pyridine-2-carboxamide
CID 123326895
5-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-3-(pyridin-4-ylmethyl)pyridine-2-carboxamide
CID 123954774
4-[8-amino-3-[(2S)-1-methylpiperidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-N-(4-propyl-2-pyridinyl)benzamide;2-chloropyrimidine-4-carbaldehyde
CID 144511264
4-[8-amino-3-(1-methylpyrrolidin-2-yl)imidazo[1,5-a]pyrazin-1-yl]-N-(4-propyl-2-pyridinyl)benzamide;2-chloropyrimidine-4-carbaldehyde
CID 144511288
2-[6-(3-Chloro-2-pyridinyl)piperidin-2-yl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine;1-methyl-5-[2-[6-(3-methyl-2-pyridinyl)piperidin-2-yl]-1,8a-dihydroimidazo[1,2-a]pyridin-5-yl]pyridin-2-one;1-methyl-4-[2-[6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridin-5-yl]pyridin-2-one
CID 145424553
(2S,6R)-2-[3-chloro-5-[3-(4-methylpiperazin-1-yl)-2-[6-(3-methyl-2-pyridinyl)-4-oxopiperidin-2-yl]imidazo[1,2-a]pyridin-7-yl]-2-pyridinyl]-6-[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]piperidin-4-one
CID 145424592

Frequently Asked Questions

What is the IUPAC name of 7-[[6-[(Z)-1-amino-3-[[(2S)-azepan-2-yl]methylimino]prop-1-enyl]-3-pyridinyl]methyl]-2-pyridin-2-ylimidazo[1,2-a]pyridine-3-carbaldehyde;7-chloro-2-pyridin-2-ylimidazo[1,2-a]pyridine-3-carbaldehyde;(Z)-3-[[(2S)-1-methylpyrrolidin-2-yl]methylimino]-2-phenylprop-1-en-1-amine?
The IUPAC name of 7-[[6-[(Z)-1-amino-3-[[(2S)-azepan-2-yl]methylimino]prop-1-enyl]-3-pyridinyl]methyl]-2-pyridin-2-ylimidazo[1,2-a]pyridine-3-carbaldehyde;7-chloro-2-pyridin-2-ylimidazo[1,2-a]pyridine-3-carbaldehyde;(Z)-3-[[(2S)-1-methylpyrrolidin-2-yl]methylimino]-2-phenylprop-1-en-1-amine (CID 170977906) is 7-[[6-[(Z)-1-amino-3-[[(2S)-azepan-2-yl]methylimino]prop-1-enyl]-3-pyridinyl]methyl]-2-pyridin-2-ylimidazo[1,2-a]pyridine-3-carbaldehyde;7-chloro-2-pyridin-2-ylimidazo[1,2-a]pyridine-3-carbaldehyde;(Z)-3-[[(2S)-1-methylpyrrolidin-2-yl]methylimino]-2-phenylprop-1-en-1-amine.
What is the SMILES notation for 7-[[6-[(Z)-1-amino-3-[[(2S)-azepan-2-yl]methylimino]prop-1-enyl]-3-pyridinyl]methyl]-2-pyridin-2-ylimidazo[1,2-a]pyridine-3-carbaldehyde;7-chloro-2-pyridin-2-ylimidazo[1,2-a]pyridine-3-carbaldehyde;(Z)-3-[[(2S)-1-methylpyrrolidin-2-yl]methylimino]-2-phenylprop-1-en-1-amine?
The canonical SMILES for 7-[[6-[(Z)-1-amino-3-[[(2S)-azepan-2-yl]methylimino]prop-1-enyl]-3-pyridinyl]methyl]-2-pyridin-2-ylimidazo[1,2-a]pyridine-3-carbaldehyde;7-chloro-2-pyridin-2-ylimidazo[1,2-a]pyridine-3-carbaldehyde;(Z)-3-[[(2S)-1-methylpyrrolidin-2-yl]methylimino]-2-phenylprop-1-en-1-amine is CN1CCC[C@H]1C/N=C/C(=C\N)c1ccccc1.N/C(=C\C=N\C[C@@H]1CCCCCN1)c1ccc(Cc2ccn3c(C=O)c(-c4ccccn4)nc3c2)cn1.O=Cc1c(-c2ccccn2)nc2cc(Cl)ccn12.
What is the InChIKey of 7-[[6-[(Z)-1-amino-3-[[(2S)-azepan-2-yl]methylimino]prop-1-enyl]-3-pyridinyl]methyl]-2-pyridin-2-ylimidazo[1,2-a]pyridine-3-carbaldehyde;7-chloro-2-pyridin-2-ylimidazo[1,2-a]pyridine-3-carbaldehyde;(Z)-3-[[(2S)-1-methylpyrrolidin-2-yl]methylimino]-2-phenylprop-1-en-1-amine?
The InChIKey is IDAQXPJSHNKCGT-BGVCFLBDSA-N. The full InChI is InChI=1S/C29H31N7O.C15H21N3.C13H8ClN3O/c30-24(10-14-31-19-23-6-2-1-4-12-32-23)25-9-8-22(18-34-25)16-21-11-15-36-27(20-37)29(35-28(36)17-21)26-7-3-5-13-33-26;1-18-9-5-8-15(18)12-17-11-14(10-16)13-6-3-2-4-7-13;14-9-4-6-17-11(8-18)13(16-12(17)7-9)10-3-1-2-5-15-10/h3,5,7-11,13-15,17-18,20,23,32H,1-2,4,6,12,16,19,30H2;2-4,6-7,10-11,15H,5,8-9,12,16H2,1H3;1-8H/b24-10-,31-14+;14-10+,17-11+;/t23-;15-;/m00./s1.
What are the key properties of 7-[[6-[(Z)-1-amino-3-[[(2S)-azepan-2-yl]methylimino]prop-1-enyl]-3-pyridinyl]methyl]-2-pyridin-2-ylimidazo[1,2-a]pyridine-3-carbaldehyde;7-chloro-2-pyridin-2-ylimidazo[1,2-a]pyridine-3-carbaldehyde;(Z)-3-[[(2S)-1-methylpyrrolidin-2-yl]methylimino]-2-phenylprop-1-en-1-amine?
7-[[6-[(Z)-1-amino-3-[[(2S)-azepan-2-yl]methylimino]prop-1-enyl]-3-pyridinyl]methyl]-2-pyridin-2-ylimidazo[1,2-a]pyridine-3-carbaldehyde;7-chloro-2-pyridin-2-ylimidazo[1,2-a]pyridine-3-carbaldehyde;(Z)-3-[[(2S)-1-methylpyrrolidin-2-yl]methylimino]-2-phenylprop-1-en-1-amine has a molecular weight of 994.65 g/mol, XLogP of 9.11, 14 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[6-[(Z)-1-amino-3-[[(2S)-azepan-2-yl]methylimino]prop-1-enyl]-3-pyridinyl]methyl]-2-pyridin-2-ylimidazo[1,2-a]pyridine-3-carbaldehyde;7-chloro-2-pyridin-2-ylimidazo[1,2-a]pyridine-3-carbaldehyde;(Z)-3-[[(2S)-1-methylpyrrolidin-2-yl]methylimino]-2-phenylprop-1-en-1-amine is sourced from PubChem (CID 170977906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).