(NZ)-N-[[3-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-[3-(pyrrolidin-1-ylmethyl)phenyl]methylidene]hydroxylamine

C29H33N5O — CID 127036718

IUPAC(NZ)-N-[[3-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-[3-(pyrrolidin-1-ylmethyl)phenyl]methylidene]hydroxylamine
SMILESCCc1nc2c(C)cc(C)nc2n1Cc1cccc(/C(=N\O)c2cccc(CN3CCCC3)c2)c1
InChIInChI=1S/C29H33N5O/c1-4-26-31-27-20(2)15-21(3)30-29(27)34(26)19-23-10-8-12-25(17-23)28(32-35)24-11-7-9-22(16-24)18-33-13-5-6-14-33/h7-12,15-17,35H,4-6,13-14,18-19H2,1-3H3/b32-28-
InChIKeyNWWSGGKVRICMKR-BLCKFSMSSA-N
MW467.62 g/mol
LogP5.48
Rot. Bonds7

About (NZ)-N-[[3-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-[3-(pyrrolidin-1-ylmethyl)phenyl]methylidene]hydroxylamine

(NZ)-N-[[3-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-[3-(pyrrolidin-1-ylmethyl)phenyl]methylidene]hydroxylamine (PubChem CID 127036718) has the molecular formula C29H33N5O and a molecular weight of 467.62 g/mol. Its IUPAC name is (NZ)-N-[[3-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-[3-(pyrrolidin-1-ylmethyl)phenyl]methylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[[3-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-[3-(pyrrolidin-1-ylmethyl)phenyl]methylidene]hydroxylamine
PubChem CID127036718
Molecular FormulaC29H33N5O
Molecular Weight467.62 g/mol
Exact Mass467.27
IUPAC Name(NZ)-N-[[3-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-[3-(pyrrolidin-1-ylmethyl)phenyl]methylidene]hydroxylamine
SMILESCCc1nc2c(C)cc(C)nc2n1Cc1cccc(/C(=N\O)c2cccc(CN3CCCC3)c2)c1
InChIInChI=1S/C29H33N5O/c1-4-26-31-27-20(2)15-21(3)30-29(27)34(26)19-23-10-8-12-25(17-23)28(32-35)24-11-7-9-22(16-24)18-33-13-5-6-14-33/h7-12,15-17,35H,4-6,13-14,18-19H2,1-3H3/b32-28-
InChIKeyNWWSGGKVRICMKR-BLCKFSMSSA-N
XLogP5.48
TPSA66.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.62
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (NZ)-N-[[3-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-[3-(pyrrolidin-1-ylmethyl)phenyl]methylidene]hydroxylamine with MolForge

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Related Compounds

N-[[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-phenylmethylidene]hydroxylamine
CID 86615033
2-(2-carboxyphenyl)-6-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]quinoline-4-carboxylic acid
CID 22370563
4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-N-phenylaniline
CID 23156166
2-ethyl-5,7-dimethyl-3-(pyrimidin-2-ylmethyl)imidazo[4,5-b]pyridine
CID 150784764
[3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-[3-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]methanol
CID 69433860
ethyl (E)-2-bromo-3-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-3-phenylprop-2-enoate
CID 19425826
2-[5-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-2,3-dihydroindole-1-carbonyl]benzonitrile
CID 10048602
2-[3-chloro-5-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-1-benzofuran-2-yl]benzoic acid
CID 19022750
4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-N-propylaniline
CID 19385717
2-ethyl-5,7-dimethyl-3-[[4-[(Z)-1-phenyl-2-(2H-tetrazol-5-yl)ethenyl]phenyl]methyl]imidazo[4,5-b]pyridine
CID 10550859
sodium;2-[6-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]quinolin-2-yl]benzoic acid;hydride
CID 173217045
2-[5-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-2-benzofuran-1-yl]-6-fluorobenzoic acid
CID 67899682

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[[3-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-[3-(pyrrolidin-1-ylmethyl)phenyl]methylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[[3-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-[3-(pyrrolidin-1-ylmethyl)phenyl]methylidene]hydroxylamine (CID 127036718) is (NZ)-N-[[3-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-[3-(pyrrolidin-1-ylmethyl)phenyl]methylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[[3-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-[3-(pyrrolidin-1-ylmethyl)phenyl]methylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[[3-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-[3-(pyrrolidin-1-ylmethyl)phenyl]methylidene]hydroxylamine is CCc1nc2c(C)cc(C)nc2n1Cc1cccc(/C(=N\O)c2cccc(CN3CCCC3)c2)c1.
What is the InChIKey of (NZ)-N-[[3-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-[3-(pyrrolidin-1-ylmethyl)phenyl]methylidene]hydroxylamine?
The InChIKey is NWWSGGKVRICMKR-BLCKFSMSSA-N. The full InChI is InChI=1S/C29H33N5O/c1-4-26-31-27-20(2)15-21(3)30-29(27)34(26)19-23-10-8-12-25(17-23)28(32-35)24-11-7-9-22(16-24)18-33-13-5-6-14-33/h7-12,15-17,35H,4-6,13-14,18-19H2,1-3H3/b32-28-.
What are the key properties of (NZ)-N-[[3-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-[3-(pyrrolidin-1-ylmethyl)phenyl]methylidene]hydroxylamine?
(NZ)-N-[[3-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-[3-(pyrrolidin-1-ylmethyl)phenyl]methylidene]hydroxylamine has a molecular weight of 467.62 g/mol, XLogP of 5.48, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[[3-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-[3-(pyrrolidin-1-ylmethyl)phenyl]methylidene]hydroxylamine is sourced from PubChem (CID 127036718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).