ethane;2-[(4E,5E)-5-ethylidene-4-[2-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]prop-2-enylidene]-1H-pyrazol-3-yl]-4-(4-fluorophenyl)-1H-pyrrolo[3,2-c]pyridine;5-[3-[4-(4-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-N-(1-phenylethenyl)pyridin-3-amine

C65H57F2N13 — CID 145247684

IUPACethane;2-[(4E,5E)-5-ethylidene-4-[2-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]prop-2-enylidene]-1H-pyrazol-3-yl]-4-(4-fluorophenyl)-1H-pyrrolo[3,2-c]pyridine;5-[3-[4-(4-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-N-(1-phenylethenyl)pyridin-3-amine
SMILESC=C(/C=c1/c(-c2cc3c(-c4ccc(F)cc4)nccc3[nH]2)n[nH]/c1=C/C)c1cncc(CN2CCCC2)c1.C=C(Nc1cncc(-c2cc3c(-c4cc5c(-c6ccc(F)cc6)nccc5[nH]4)n[nH]c3cn2)c1)c1ccccc1.CC
InChIInChI=1S/C32H22FN7.C31H29FN6.C2H6/c1-19(20-5-3-2-4-6-20)37-24-13-22(16-34-17-24)28-14-26-30(18-36-28)39-40-32(26)29-15-25-27(38-29)11-12-35-31(25)21-7-9-23(33)10-8-21;1-3-27-25(14-20(2)23-15-21(17-33-18-23)19-38-12-4-5-13-38)31(37-36-27)29-16-26-28(35-29)10-11-34-30(26)22-6-8-24(32)9-7-22;1-2/h2-18,37-38H,1H2,(H,39,40);3,6-11,14-18,35-36H,2,4-5,12-13,19H2,1H3;1-2H3/b;25-14+,27-3+;
InChIKeyWQPKCFSEQQLTFI-QXZTTZMBSA-N
MW1058.26 g/mol
LogP13.52
Rot. Bonds12

About ethane;2-[(4E,5E)-5-ethylidene-4-[2-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]prop-2-enylidene]-1H-pyrazol-3-yl]-4-(4-fluorophenyl)-1H-pyrrolo[3,2-c]pyridine;5-[3-[4-(4-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-N-(1-phenylethenyl)pyridin-3-amine

ethane;2-[(4E,5E)-5-ethylidene-4-[2-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]prop-2-enylidene]-1H-pyrazol-3-yl]-4-(4-fluorophenyl)-1H-pyrrolo[3,2-c]pyridine;5-[3-[4-(4-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-N-(1-phenylethenyl)pyridin-3-amine (PubChem CID 145247684) has the molecular formula C65H57F2N13 and a molecular weight of 1058.26 g/mol. Its IUPAC name is ethane;2-[(4E,5E)-5-ethylidene-4-[2-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]prop-2-enylidene]-1H-pyrazol-3-yl]-4-(4-fluorophenyl)-1H-pyrrolo[3,2-c]pyridine;5-[3-[4-(4-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-N-(1-phenylethenyl)pyridin-3-amine.

Molecular Properties

Compound Nameethane;2-[(4E,5E)-5-ethylidene-4-[2-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]prop-2-enylidene]-1H-pyrazol-3-yl]-4-(4-fluorophenyl)-1H-pyrrolo[3,2-c]pyridine;5-[3-[4-(4-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-N-(1-phenylethenyl)pyridin-3-amine
PubChem CID145247684
Molecular FormulaC65H57F2N13
Molecular Weight1058.26 g/mol
Exact Mass1057.48
IUPAC Nameethane;2-[(4E,5E)-5-ethylidene-4-[2-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]prop-2-enylidene]-1H-pyrazol-3-yl]-4-(4-fluorophenyl)-1H-pyrrolo[3,2-c]pyridine;5-[3-[4-(4-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-N-(1-phenylethenyl)pyridin-3-amine
SMILESC=C(/C=c1/c(-c2cc3c(-c4ccc(F)cc4)nccc3[nH]2)n[nH]/c1=C/C)c1cncc(CN2CCCC2)c1.C=C(Nc1cncc(-c2cc3c(-c4cc5c(-c6ccc(F)cc6)nccc5[nH]4)n[nH]c3cn2)c1)c1ccccc1.CC
InChIInChI=1S/C32H22FN7.C31H29FN6.C2H6/c1-19(20-5-3-2-4-6-20)37-24-13-22(16-34-17-24)28-14-26-30(18-36-28)39-40-32(26)29-15-25-27(38-29)11-12-35-31(25)21-7-9-23(33)10-8-21;1-3-27-25(14-20(2)23-15-21(17-33-18-23)19-38-12-4-5-13-38)31(37-36-27)29-16-26-28(35-29)10-11-34-30(26)22-6-8-24(32)9-7-22;1-2/h2-18,37-38H,1H2,(H,39,40);3,6-11,14-18,35-36H,2,4-5,12-13,19H2,1H3;1-2H3/b;25-14+,27-3+;
InChIKeyWQPKCFSEQQLTFI-QXZTTZMBSA-N
XLogP13.52
TPSA168.66 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms80
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001058.26
LogP ≤ 513.52
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

Analyze ethane;2-[(4E,5E)-5-ethylidene-4-[2-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]prop-2-enylidene]-1H-pyrazol-3-yl]-4-(4-fluorophenyl)-1H-pyrrolo[3,2-c]pyridine;5-[3-[4-(4-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-N-(1-phenylethenyl)pyridin-3-amine with MolForge

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Related Compounds

N-(2-(2,5-difluorophenyl)-5-methylpyridin-4-yl)-1H-pyrazolo[4,3-b]pyridin-7-amine
CID 54671061
5-(1-methylpyrazol-4-yl)-3-(6-piperidin-4-yl-2-pyridinyl)-1H-pyrazolo[3,4-c]pyridine
CID 71253727
(3S)-1-[3-[3-(2-fluorophenyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-4-pyridinyl]piperidin-3-amine
CID 71253520
5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]pyridin-3-yl]-3-(1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridine
CID 137039626
US11242343, Example 58
CID 134327523
US10435405, Example 167
CID 134327713
US10435405, Example 219
CID 134327802
US10435405, Example 62
CID 134327866
US10435405, Example 44
CID 134327933
US10435405, Example 46
CID 134328006
N,N-dimethyl-1-[5-[3-(4-pyridin-4-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]methanamine
CID 137033267
5-[3-(4-pyridin-4-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-amine
CID 137033292

Frequently Asked Questions

What is the IUPAC name of ethane;2-[(4E,5E)-5-ethylidene-4-[2-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]prop-2-enylidene]-1H-pyrazol-3-yl]-4-(4-fluorophenyl)-1H-pyrrolo[3,2-c]pyridine;5-[3-[4-(4-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-N-(1-phenylethenyl)pyridin-3-amine?
The IUPAC name of ethane;2-[(4E,5E)-5-ethylidene-4-[2-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]prop-2-enylidene]-1H-pyrazol-3-yl]-4-(4-fluorophenyl)-1H-pyrrolo[3,2-c]pyridine;5-[3-[4-(4-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-N-(1-phenylethenyl)pyridin-3-amine (CID 145247684) is ethane;2-[(4E,5E)-5-ethylidene-4-[2-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]prop-2-enylidene]-1H-pyrazol-3-yl]-4-(4-fluorophenyl)-1H-pyrrolo[3,2-c]pyridine;5-[3-[4-(4-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-N-(1-phenylethenyl)pyridin-3-amine.
What is the SMILES notation for ethane;2-[(4E,5E)-5-ethylidene-4-[2-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]prop-2-enylidene]-1H-pyrazol-3-yl]-4-(4-fluorophenyl)-1H-pyrrolo[3,2-c]pyridine;5-[3-[4-(4-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-N-(1-phenylethenyl)pyridin-3-amine?
The canonical SMILES for ethane;2-[(4E,5E)-5-ethylidene-4-[2-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]prop-2-enylidene]-1H-pyrazol-3-yl]-4-(4-fluorophenyl)-1H-pyrrolo[3,2-c]pyridine;5-[3-[4-(4-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-N-(1-phenylethenyl)pyridin-3-amine is C=C(/C=c1/c(-c2cc3c(-c4ccc(F)cc4)nccc3[nH]2)n[nH]/c1=C/C)c1cncc(CN2CCCC2)c1.C=C(Nc1cncc(-c2cc3c(-c4cc5c(-c6ccc(F)cc6)nccc5[nH]4)n[nH]c3cn2)c1)c1ccccc1.CC.
What is the InChIKey of ethane;2-[(4E,5E)-5-ethylidene-4-[2-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]prop-2-enylidene]-1H-pyrazol-3-yl]-4-(4-fluorophenyl)-1H-pyrrolo[3,2-c]pyridine;5-[3-[4-(4-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-N-(1-phenylethenyl)pyridin-3-amine?
The InChIKey is WQPKCFSEQQLTFI-QXZTTZMBSA-N. The full InChI is InChI=1S/C32H22FN7.C31H29FN6.C2H6/c1-19(20-5-3-2-4-6-20)37-24-13-22(16-34-17-24)28-14-26-30(18-36-28)39-40-32(26)29-15-25-27(38-29)11-12-35-31(25)21-7-9-23(33)10-8-21;1-3-27-25(14-20(2)23-15-21(17-33-18-23)19-38-12-4-5-13-38)31(37-36-27)29-16-26-28(35-29)10-11-34-30(26)22-6-8-24(32)9-7-22;1-2/h2-18,37-38H,1H2,(H,39,40);3,6-11,14-18,35-36H,2,4-5,12-13,19H2,1H3;1-2H3/b;25-14+,27-3+;.
What are the key properties of ethane;2-[(4E,5E)-5-ethylidene-4-[2-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]prop-2-enylidene]-1H-pyrazol-3-yl]-4-(4-fluorophenyl)-1H-pyrrolo[3,2-c]pyridine;5-[3-[4-(4-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-N-(1-phenylethenyl)pyridin-3-amine?
ethane;2-[(4E,5E)-5-ethylidene-4-[2-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]prop-2-enylidene]-1H-pyrazol-3-yl]-4-(4-fluorophenyl)-1H-pyrrolo[3,2-c]pyridine;5-[3-[4-(4-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-N-(1-phenylethenyl)pyridin-3-amine has a molecular weight of 1058.26 g/mol, XLogP of 13.52, 12 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-[(4E,5E)-5-ethylidene-4-[2-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]prop-2-enylidene]-1H-pyrazol-3-yl]-4-(4-fluorophenyl)-1H-pyrrolo[3,2-c]pyridine;5-[3-[4-(4-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-N-(1-phenylethenyl)pyridin-3-amine is sourced from PubChem (CID 145247684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).