1-N,1-N-dimethyl-2-N-[5-[(E,4E)-4-[4-methylidene-3-(4-pyridin-2-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazol-5-ylidene]but-2-en-2-yl]-3-pyridinyl]prop-2-ene-1,2-diamine

C30H30N8 — CID 145250924

IUPAC1-N,1-N-dimethyl-2-N-[5-[(E,4E)-4-[4-methylidene-3-(4-pyridin-2-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazol-5-ylidene]but-2-en-2-yl]-3-pyridinyl]prop-2-ene-1,2-diamine
SMILESC=C(CN(C)C)Nc1cncc(/C(C)=C/C=c2/[nH]nc(-c3cc4c(-c5ccccn5)nccc4[nH]3)c2=C)c1
InChIInChI=1S/C30H30N8/c1-19(22-14-23(17-31-16-22)34-20(2)18-38(4)5)9-10-25-21(3)29(37-36-25)28-15-24-26(35-28)11-13-33-30(24)27-8-6-7-12-32-27/h6-17,34-36H,2-3,18H2,1,4-5H3/b19-9+,25-10+
InChIKeyRMMFWVBTUIHYQK-UTKOBFNXSA-N
MW502.63 g/mol
LogP4.19
Rot. Bonds8

About 1-N,1-N-dimethyl-2-N-[5-[(E,4E)-4-[4-methylidene-3-(4-pyridin-2-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazol-5-ylidene]but-2-en-2-yl]-3-pyridinyl]prop-2-ene-1,2-diamine

1-N,1-N-dimethyl-2-N-[5-[(E,4E)-4-[4-methylidene-3-(4-pyridin-2-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazol-5-ylidene]but-2-en-2-yl]-3-pyridinyl]prop-2-ene-1,2-diamine (PubChem CID 145250924) has the molecular formula C30H30N8 and a molecular weight of 502.63 g/mol. Its IUPAC name is 1-N,1-N-dimethyl-2-N-[5-[(E,4E)-4-[4-methylidene-3-(4-pyridin-2-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazol-5-ylidene]but-2-en-2-yl]-3-pyridinyl]prop-2-ene-1,2-diamine.

Molecular Properties

Compound Name1-N,1-N-dimethyl-2-N-[5-[(E,4E)-4-[4-methylidene-3-(4-pyridin-2-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazol-5-ylidene]but-2-en-2-yl]-3-pyridinyl]prop-2-ene-1,2-diamine
PubChem CID145250924
Molecular FormulaC30H30N8
Molecular Weight502.63 g/mol
Exact Mass502.26
IUPAC Name1-N,1-N-dimethyl-2-N-[5-[(E,4E)-4-[4-methylidene-3-(4-pyridin-2-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazol-5-ylidene]but-2-en-2-yl]-3-pyridinyl]prop-2-ene-1,2-diamine
SMILESC=C(CN(C)C)Nc1cncc(/C(C)=C/C=c2/[nH]nc(-c3cc4c(-c5ccccn5)nccc4[nH]3)c2=C)c1
InChIInChI=1S/C30H30N8/c1-19(22-14-23(17-31-16-22)34-20(2)18-38(4)5)9-10-25-21(3)29(37-36-25)28-15-24-26(35-28)11-13-33-30(24)27-8-6-7-12-32-27/h6-17,34-36H,2-3,18H2,1,4-5H3/b19-9+,25-10+
InChIKeyRMMFWVBTUIHYQK-UTKOBFNXSA-N
XLogP4.19
TPSA98.41 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.63
LogP ≤ 54.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 1-N,1-N-dimethyl-2-N-[5-[(E,4E)-4-[4-methylidene-3-(4-pyridin-2-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazol-5-ylidene]but-2-en-2-yl]-3-pyridinyl]prop-2-ene-1,2-diamine with MolForge

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Related Compounds

2-N-[5-[(E,4E)-4-[3-[4-(5-fluorothiophen-2-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-4-methylidene-1H-pyrazol-5-ylidene]but-2-en-2-yl]-3-pyridinyl]-1-N,1-N-dimethylprop-2-ene-1,2-diamine
CID 145254386
2-N-[5-[(3E)-3-[(5E)-5-ethylidene-3-[4-[(E)-1-propan-2-ylsulfanylprop-1-en-2-yl]-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-pyrazol-4-ylidene]prop-1-en-2-yl]-3-pyridinyl]-1-N,1-N-dimethylprop-2-ene-1,2-diamine
CID 145247574
(3E,5E,6E,8E)-N-(3-cyclohexylprop-1-en-2-yl)-5-ethylidene-6-methyl-8-[4-methylidene-3-(4-pyridin-2-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazol-5-ylidene]octa-1,3,6-trien-3-amine
CID 145250980
N-(4,4-dimethylpent-1-en-2-yl)-5-[(E,4E)-4-[3-[4-(3-fluoro-5-methylphenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-4-methylidene-1H-pyrazol-5-ylidene]but-2-en-2-yl]pyridin-3-amine
CID 145254284
N-(3-cyclohexylprop-1-en-2-yl)-5-[(E,4E)-4-[3-[4-[3-[3-(dimethylamino)propyl]-5-fluorophenyl]-1H-pyrrolo[2,3-c]pyridin-2-yl]-4-methylidene-1H-pyrazol-5-ylidene]but-2-en-2-yl]pyridin-3-amine
CID 145254360
5-[(E,4E)-4-[4-methylidene-3-[4-(5-prop-1-en-2-ylthiophen-2-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-pyrazol-5-ylidene]but-2-en-2-yl]-N-(3-piperidin-4-ylprop-1-en-2-yl)pyridin-3-amine
CID 145254456
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]-N-(3-phenylprop-1-en-2-yl)pyridin-3-amine
CID 145253316
N-(4,4-dimethylpent-1-en-2-yl)-5-[3-(4-pyridin-2-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-amine
CID 145248329
N-[3-[2-[(5E)-5-[(E)-3-[6-(3-aminoazetidin-1-yl)pyrazin-2-yl]but-2-enylidene]-4-methylidene-1H-pyrazol-3-yl]-1H-pyrrolo[3,2-c]pyridin-4-yl]-5-fluorophenyl]-N',N'-dimethylethane-1,2-diamine
CID 145251209
N-(3-cyclohexylprop-1-en-2-yl)-5-[(E,4E)-4-[4-methylidene-3-[5-methyl-4-[(1Z)-1-pyridin-3-ylbuta-1,3-dienyl]-1H-imidazol-2-yl]-1H-pyrazol-5-ylidene]but-2-en-2-yl]pyridin-3-amine;ethane
CID 145252916
2-methyl-N-[5-[3-(4-pyridin-2-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]propanamide
CID 137039052
5-[(3E)-3-[(5E)-5-ethylidene-3-[4-(4-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-pyrazol-4-ylidene]prop-1-en-2-yl]-N-(3-phenylprop-1-en-2-yl)pyridin-3-amine
CID 145247736

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N-dimethyl-2-N-[5-[(E,4E)-4-[4-methylidene-3-(4-pyridin-2-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazol-5-ylidene]but-2-en-2-yl]-3-pyridinyl]prop-2-ene-1,2-diamine?
The IUPAC name of 1-N,1-N-dimethyl-2-N-[5-[(E,4E)-4-[4-methylidene-3-(4-pyridin-2-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazol-5-ylidene]but-2-en-2-yl]-3-pyridinyl]prop-2-ene-1,2-diamine (CID 145250924) is 1-N,1-N-dimethyl-2-N-[5-[(E,4E)-4-[4-methylidene-3-(4-pyridin-2-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazol-5-ylidene]but-2-en-2-yl]-3-pyridinyl]prop-2-ene-1,2-diamine.
What is the SMILES notation for 1-N,1-N-dimethyl-2-N-[5-[(E,4E)-4-[4-methylidene-3-(4-pyridin-2-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazol-5-ylidene]but-2-en-2-yl]-3-pyridinyl]prop-2-ene-1,2-diamine?
The canonical SMILES for 1-N,1-N-dimethyl-2-N-[5-[(E,4E)-4-[4-methylidene-3-(4-pyridin-2-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazol-5-ylidene]but-2-en-2-yl]-3-pyridinyl]prop-2-ene-1,2-diamine is C=C(CN(C)C)Nc1cncc(/C(C)=C/C=c2/[nH]nc(-c3cc4c(-c5ccccn5)nccc4[nH]3)c2=C)c1.
What is the InChIKey of 1-N,1-N-dimethyl-2-N-[5-[(E,4E)-4-[4-methylidene-3-(4-pyridin-2-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazol-5-ylidene]but-2-en-2-yl]-3-pyridinyl]prop-2-ene-1,2-diamine?
The InChIKey is RMMFWVBTUIHYQK-UTKOBFNXSA-N. The full InChI is InChI=1S/C30H30N8/c1-19(22-14-23(17-31-16-22)34-20(2)18-38(4)5)9-10-25-21(3)29(37-36-25)28-15-24-26(35-28)11-13-33-30(24)27-8-6-7-12-32-27/h6-17,34-36H,2-3,18H2,1,4-5H3/b19-9+,25-10+.
What are the key properties of 1-N,1-N-dimethyl-2-N-[5-[(E,4E)-4-[4-methylidene-3-(4-pyridin-2-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazol-5-ylidene]but-2-en-2-yl]-3-pyridinyl]prop-2-ene-1,2-diamine?
1-N,1-N-dimethyl-2-N-[5-[(E,4E)-4-[4-methylidene-3-(4-pyridin-2-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazol-5-ylidene]but-2-en-2-yl]-3-pyridinyl]prop-2-ene-1,2-diamine has a molecular weight of 502.63 g/mol, XLogP of 4.19, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N-dimethyl-2-N-[5-[(E,4E)-4-[4-methylidene-3-(4-pyridin-2-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazol-5-ylidene]but-2-en-2-yl]-3-pyridinyl]prop-2-ene-1,2-diamine is sourced from PubChem (CID 145250924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).