1-[6-[(3E)-3-[(5E)-5-ethylidene-3-(4-pyridin-3-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-pyrazol-4-ylidene]prop-1-en-2-yl]pyrazin-2-yl]azetidin-3-amine

C27H25N9 — CID 145245987

IUPAC1-[6-[(3E)-3-[(5E)-5-ethylidene-3-(4-pyridin-3-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-pyrazol-4-ylidene]prop-1-en-2-yl]pyrazin-2-yl]azetidin-3-amine
SMILESC=C(/C=c1/c(-c2cc3c(-c4cccnc4)cncc3[nH]2)n[nH]/c1=C/C)c1cncc(N2CC(N)C2)n1
InChIInChI=1S/C27H25N9/c1-3-22-20(7-16(2)24-11-31-13-26(33-24)36-14-18(28)15-36)27(35-34-22)23-8-19-21(10-30-12-25(19)32-23)17-5-4-6-29-9-17/h3-13,18,32,34H,2,14-15,28H2,1H3/b20-7+,22-3+
InChIKeyCEBQXUJVMYDQIF-YVCPFKPNSA-N
MW475.56 g/mol
LogP2.25
Rot. Bonds5

About 1-[6-[(3E)-3-[(5E)-5-ethylidene-3-(4-pyridin-3-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-pyrazol-4-ylidene]prop-1-en-2-yl]pyrazin-2-yl]azetidin-3-amine

1-[6-[(3E)-3-[(5E)-5-ethylidene-3-(4-pyridin-3-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-pyrazol-4-ylidene]prop-1-en-2-yl]pyrazin-2-yl]azetidin-3-amine (PubChem CID 145245987) has the molecular formula C27H25N9 and a molecular weight of 475.56 g/mol. Its IUPAC name is 1-[6-[(3E)-3-[(5E)-5-ethylidene-3-(4-pyridin-3-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-pyrazol-4-ylidene]prop-1-en-2-yl]pyrazin-2-yl]azetidin-3-amine.

Molecular Properties

Compound Name1-[6-[(3E)-3-[(5E)-5-ethylidene-3-(4-pyridin-3-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-pyrazol-4-ylidene]prop-1-en-2-yl]pyrazin-2-yl]azetidin-3-amine
PubChem CID145245987
Molecular FormulaC27H25N9
Molecular Weight475.56 g/mol
Exact Mass475.22
IUPAC Name1-[6-[(3E)-3-[(5E)-5-ethylidene-3-(4-pyridin-3-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-pyrazol-4-ylidene]prop-1-en-2-yl]pyrazin-2-yl]azetidin-3-amine
SMILESC=C(/C=c1/c(-c2cc3c(-c4cccnc4)cncc3[nH]2)n[nH]/c1=C/C)c1cncc(N2CC(N)C2)n1
InChIInChI=1S/C27H25N9/c1-3-22-20(7-16(2)24-11-31-13-26(33-24)36-14-18(28)15-36)27(35-34-22)23-8-19-21(10-30-12-25(19)32-23)17-5-4-6-29-9-17/h3-13,18,32,34H,2,14-15,28H2,1H3/b20-7+,22-3+
InChIKeyCEBQXUJVMYDQIF-YVCPFKPNSA-N
XLogP2.25
TPSA125.29 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.56
LogP ≤ 52.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 1-[6-[(3E)-3-[(5E)-5-ethylidene-3-(4-pyridin-3-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-pyrazol-4-ylidene]prop-1-en-2-yl]pyrazin-2-yl]azetidin-3-amine with MolForge

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Related Compounds

1-[6-[3-(4-pyridin-3-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]pyrazin-2-yl]azetidin-3-amine
CID 137112098
2-[(4E,5E)-5-ethylidene-4-(2-pyridin-2-ylprop-2-enylidene)-1H-pyrazol-3-yl]-4-(3-fluorophenyl)-1H-pyrrolo[2,3-c]pyridine
CID 145246024
1-[6-[3-(4-pyridin-4-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-indazol-5-yl]pyrazin-2-yl]azetidin-3-amine
CID 137117012
2-[(4E,5E)-5-ethylidene-4-(2-pyrazin-2-ylprop-2-enylidene)-1H-pyrazol-3-yl]-4-thiophen-3-yl-1H-indole
CID 145254867
1-[6-[(E,1E)-1-[3-[4-[3-[3-(dimethylamino)propyl]-5-fluorophenyl]-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-methylidene-1H-pyrazol-4-ylidene]but-2-en-2-yl]pyrazin-2-yl]azetidin-3-amine
CID 145247357
1-[6-[3-[4-(3-fluoro-5-methylphenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyrazin-2-yl]azetidin-3-amine
CID 161237105
3-[2-[5-[6-(3-aminoazetidin-1-yl)pyrazin-2-yl]-1H-indazol-3-yl]-1H-pyrrolo[2,3-c]pyridin-4-yl]-5-fluorophenol
CID 137116915
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
2-[(4E,5E)-5-ethylidene-4-[2-(1,2,3,6-tetrahydropyridin-4-yl)prop-2-enylidene]-1H-pyrazol-3-yl]-4-(3-fluoro-5-methylphenyl)-1H-pyrrolo[2,3-c]pyridine
CID 145246079
1-[6-[3-(4-pyridin-4-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]pyrazin-2-yl]azetidin-3-amine
CID 137040927
4-pyridin-3-yl-2-(5-pyridin-3-yl-1H-indazol-3-yl)-1H-pyrrolo[2,3-c]pyridine
CID 137116773
5-[(2E,4E)-5-(piperidin-1-ylmethyl)hepta-2,4,6-trien-3-yl]-3-(4-pyridin-3-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridine
CID 145254508

Frequently Asked Questions

What is the IUPAC name of 1-[6-[(3E)-3-[(5E)-5-ethylidene-3-(4-pyridin-3-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-pyrazol-4-ylidene]prop-1-en-2-yl]pyrazin-2-yl]azetidin-3-amine?
The IUPAC name of 1-[6-[(3E)-3-[(5E)-5-ethylidene-3-(4-pyridin-3-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-pyrazol-4-ylidene]prop-1-en-2-yl]pyrazin-2-yl]azetidin-3-amine (CID 145245987) is 1-[6-[(3E)-3-[(5E)-5-ethylidene-3-(4-pyridin-3-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-pyrazol-4-ylidene]prop-1-en-2-yl]pyrazin-2-yl]azetidin-3-amine.
What is the SMILES notation for 1-[6-[(3E)-3-[(5E)-5-ethylidene-3-(4-pyridin-3-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-pyrazol-4-ylidene]prop-1-en-2-yl]pyrazin-2-yl]azetidin-3-amine?
The canonical SMILES for 1-[6-[(3E)-3-[(5E)-5-ethylidene-3-(4-pyridin-3-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-pyrazol-4-ylidene]prop-1-en-2-yl]pyrazin-2-yl]azetidin-3-amine is C=C(/C=c1/c(-c2cc3c(-c4cccnc4)cncc3[nH]2)n[nH]/c1=C/C)c1cncc(N2CC(N)C2)n1.
What is the InChIKey of 1-[6-[(3E)-3-[(5E)-5-ethylidene-3-(4-pyridin-3-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-pyrazol-4-ylidene]prop-1-en-2-yl]pyrazin-2-yl]azetidin-3-amine?
The InChIKey is CEBQXUJVMYDQIF-YVCPFKPNSA-N. The full InChI is InChI=1S/C27H25N9/c1-3-22-20(7-16(2)24-11-31-13-26(33-24)36-14-18(28)15-36)27(35-34-22)23-8-19-21(10-30-12-25(19)32-23)17-5-4-6-29-9-17/h3-13,18,32,34H,2,14-15,28H2,1H3/b20-7+,22-3+.
What are the key properties of 1-[6-[(3E)-3-[(5E)-5-ethylidene-3-(4-pyridin-3-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-pyrazol-4-ylidene]prop-1-en-2-yl]pyrazin-2-yl]azetidin-3-amine?
1-[6-[(3E)-3-[(5E)-5-ethylidene-3-(4-pyridin-3-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-pyrazol-4-ylidene]prop-1-en-2-yl]pyrazin-2-yl]azetidin-3-amine has a molecular weight of 475.56 g/mol, XLogP of 2.25, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[(3E)-3-[(5E)-5-ethylidene-3-(4-pyridin-3-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-pyrazol-4-ylidene]prop-1-en-2-yl]pyrazin-2-yl]azetidin-3-amine is sourced from PubChem (CID 145245987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).