N-[[5-[(E,4E)-4-[(4Z)-4-ethylidene-3-(4-pyridin-4-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazol-5-ylidene]but-2-en-2-yl]-3-pyridinyl]methyl]-1-phenylmethanamine

C33H30N8 — CID 145244782

IUPACN-[[5-[(E,4E)-4-[(4Z)-4-ethylidene-3-(4-pyridin-4-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazol-5-ylidene]but-2-en-2-yl]-3-pyridinyl]methyl]-1-phenylmethanamine
SMILESC/C=c1\c(-c2nc3c(-c4ccncc4)nccc3[nH]2)n[nH]\c1=C\C=C(/C)c1cncc(CNCc2ccccc2)c1
InChIInChI=1S/C33H30N8/c1-3-27-28(10-9-22(2)26-17-24(20-36-21-26)19-35-18-23-7-5-4-6-8-23)40-41-31(27)33-38-29-13-16-37-30(32(29)39-33)25-11-14-34-15-12-25/h3-17,20-21,35,40H,18-19H2,1-2H3,(H,38,39)/b22-9+,27-3-,28-10+
InChIKeyRFNZRSWYMYRKRL-HSKIOWOCSA-N
MW538.66 g/mol
LogP4.78
Rot. Bonds8

About N-[[5-[(E,4E)-4-[(4Z)-4-ethylidene-3-(4-pyridin-4-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazol-5-ylidene]but-2-en-2-yl]-3-pyridinyl]methyl]-1-phenylmethanamine

N-[[5-[(E,4E)-4-[(4Z)-4-ethylidene-3-(4-pyridin-4-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazol-5-ylidene]but-2-en-2-yl]-3-pyridinyl]methyl]-1-phenylmethanamine (PubChem CID 145244782) has the molecular formula C33H30N8 and a molecular weight of 538.66 g/mol. Its IUPAC name is N-[[5-[(E,4E)-4-[(4Z)-4-ethylidene-3-(4-pyridin-4-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazol-5-ylidene]but-2-en-2-yl]-3-pyridinyl]methyl]-1-phenylmethanamine.

Molecular Properties

Compound NameN-[[5-[(E,4E)-4-[(4Z)-4-ethylidene-3-(4-pyridin-4-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazol-5-ylidene]but-2-en-2-yl]-3-pyridinyl]methyl]-1-phenylmethanamine
PubChem CID145244782
Molecular FormulaC33H30N8
Molecular Weight538.66 g/mol
Exact Mass538.26
IUPAC NameN-[[5-[(E,4E)-4-[(4Z)-4-ethylidene-3-(4-pyridin-4-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazol-5-ylidene]but-2-en-2-yl]-3-pyridinyl]methyl]-1-phenylmethanamine
SMILESC/C=c1\c(-c2nc3c(-c4ccncc4)nccc3[nH]2)n[nH]\c1=C\C=C(/C)c1cncc(CNCc2ccccc2)c1
InChIInChI=1S/C33H30N8/c1-3-27-28(10-9-22(2)26-17-24(20-36-21-26)19-35-18-23-7-5-4-6-8-23)40-41-31(27)33-38-29-13-16-37-30(32(29)39-33)25-11-14-34-15-12-25/h3-17,20-21,35,40H,18-19H2,1-2H3,(H,38,39)/b22-9+,27-3-,28-10+
InChIKeyRFNZRSWYMYRKRL-HSKIOWOCSA-N
XLogP4.78
TPSA108.06 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500538.66
LogP ≤ 54.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[[5-[(E,4E)-4-[(4Z)-4-ethylidene-3-(4-pyridin-4-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazol-5-ylidene]but-2-en-2-yl]-3-pyridinyl]methyl]-1-phenylmethanamine with MolForge

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Related Compounds

N-[[5-[(E,4E)-4-[3-[7-(3-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-4-methylidene-1H-pyrazol-5-ylidene]but-2-en-2-yl]-3-pyridinyl]methyl]-1-phenylmethanamine
CID 145253420
1-phenyl-N-[[5-[3-(4-thiophen-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]methyl]methanamine
CID 137038689
1-phenyl-N-[[5-[3-(4-piperidin-1-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]methyl]methanamine
CID 137312248
N-[[5-[(3E)-3-[(5E)-5-ethylidene-3-(4-pyridin-3-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazol-4-ylidene]prop-1-en-2-yl]-3-pyridinyl]methyl]-1-phenylmethanamine
CID 145247540
N-(1-cyclobutylethenyl)-5-[(E,4E)-4-[(4Z)-4-ethylidene-3-(4-piperidin-1-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazol-5-ylidene]but-2-en-2-yl]pyridin-3-amine
CID 145244741
N-[[5-[6-fluoro-3-[4-(4-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]methyl]-1-phenylmethanamine
CID 136935976
N-[[5-[4-fluoro-3-(4-pyridin-4-yl-1H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]-1-phenylmethanamine
CID 136945211
N-[[5-[3-[4-(3-fluoro-5-methylphenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]methyl]-1-phenylmethanamine
CID 136944667
1-phenyl-N-[[5-[3-(4-thiophen-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]methyl]methanamine
CID 136938407
N-[[5-[4-fluoro-3-[4-(4-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]methyl]-1-phenylmethanamine
CID 136936388
N-[[5-[3-[4-(3-fluoro-5-methylphenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]methyl]-1-phenylmethanamine
CID 136937185
4-(3-fluoro-5-methylphenyl)-2-[(5E)-4-methylidene-5-[(E)-3-pyridin-4-ylbut-2-enylidene]-1H-pyrazol-3-yl]-1H-imidazo[4,5-c]pyridine
CID 145245170

Frequently Asked Questions

What is the IUPAC name of N-[[5-[(E,4E)-4-[(4Z)-4-ethylidene-3-(4-pyridin-4-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazol-5-ylidene]but-2-en-2-yl]-3-pyridinyl]methyl]-1-phenylmethanamine?
The IUPAC name of N-[[5-[(E,4E)-4-[(4Z)-4-ethylidene-3-(4-pyridin-4-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazol-5-ylidene]but-2-en-2-yl]-3-pyridinyl]methyl]-1-phenylmethanamine (CID 145244782) is N-[[5-[(E,4E)-4-[(4Z)-4-ethylidene-3-(4-pyridin-4-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazol-5-ylidene]but-2-en-2-yl]-3-pyridinyl]methyl]-1-phenylmethanamine.
What is the SMILES notation for N-[[5-[(E,4E)-4-[(4Z)-4-ethylidene-3-(4-pyridin-4-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazol-5-ylidene]but-2-en-2-yl]-3-pyridinyl]methyl]-1-phenylmethanamine?
The canonical SMILES for N-[[5-[(E,4E)-4-[(4Z)-4-ethylidene-3-(4-pyridin-4-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazol-5-ylidene]but-2-en-2-yl]-3-pyridinyl]methyl]-1-phenylmethanamine is C/C=c1\c(-c2nc3c(-c4ccncc4)nccc3[nH]2)n[nH]\c1=C\C=C(/C)c1cncc(CNCc2ccccc2)c1.
What is the InChIKey of N-[[5-[(E,4E)-4-[(4Z)-4-ethylidene-3-(4-pyridin-4-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazol-5-ylidene]but-2-en-2-yl]-3-pyridinyl]methyl]-1-phenylmethanamine?
The InChIKey is RFNZRSWYMYRKRL-HSKIOWOCSA-N. The full InChI is InChI=1S/C33H30N8/c1-3-27-28(10-9-22(2)26-17-24(20-36-21-26)19-35-18-23-7-5-4-6-8-23)40-41-31(27)33-38-29-13-16-37-30(32(29)39-33)25-11-14-34-15-12-25/h3-17,20-21,35,40H,18-19H2,1-2H3,(H,38,39)/b22-9+,27-3-,28-10+.
What are the key properties of N-[[5-[(E,4E)-4-[(4Z)-4-ethylidene-3-(4-pyridin-4-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazol-5-ylidene]but-2-en-2-yl]-3-pyridinyl]methyl]-1-phenylmethanamine?
N-[[5-[(E,4E)-4-[(4Z)-4-ethylidene-3-(4-pyridin-4-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazol-5-ylidene]but-2-en-2-yl]-3-pyridinyl]methyl]-1-phenylmethanamine has a molecular weight of 538.66 g/mol, XLogP of 4.78, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(E,4E)-4-[(4Z)-4-ethylidene-3-(4-pyridin-4-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazol-5-ylidene]but-2-en-2-yl]-3-pyridinyl]methyl]-1-phenylmethanamine is sourced from PubChem (CID 145244782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).