2-(3-chlorophenyl)-3-(3-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine

C20H18ClN5 — CID 170327888

IUPAC2-(3-chlorophenyl)-3-(3-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine
SMILESCc1c[nH]c2nccc(-c3c(-c4cccc(Cl)c4)nn4c3CNCC4)c12
InChIInChI=1S/C20H18ClN5/c1-12-10-24-20-17(12)15(5-6-23-20)18-16-11-22-7-8-26(16)25-19(18)13-3-2-4-14(21)9-13/h2-6,9-10,22H,7-8,11H2,1H3,(H,23,24)
InChIKeyRBANNLMWMBNVHJ-UHFFFAOYSA-N
MW363.85 g/mol
LogP4.16
Rot. Bonds2

About 2-(3-chlorophenyl)-3-(3-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine

2-(3-chlorophenyl)-3-(3-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine (PubChem CID 170327888) has the molecular formula C20H18ClN5 and a molecular weight of 363.85 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-3-(3-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name2-(3-chlorophenyl)-3-(3-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine
PubChem CID170327888
Molecular FormulaC20H18ClN5
Molecular Weight363.85 g/mol
Exact Mass363.13
IUPAC Name2-(3-chlorophenyl)-3-(3-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine
SMILESCc1c[nH]c2nccc(-c3c(-c4cccc(Cl)c4)nn4c3CNCC4)c12
InChIInChI=1S/C20H18ClN5/c1-12-10-24-20-17(12)15(5-6-23-20)18-16-11-22-7-8-26(16)25-19(18)13-3-2-4-14(21)9-13/h2-6,9-10,22H,7-8,11H2,1H3,(H,23,24)
InChIKeyRBANNLMWMBNVHJ-UHFFFAOYSA-N
XLogP4.16
TPSA58.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.85
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-3-(3-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine?
The IUPAC name of 2-(3-chlorophenyl)-3-(3-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine (CID 170327888) is 2-(3-chlorophenyl)-3-(3-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine.
What is the SMILES notation for 2-(3-chlorophenyl)-3-(3-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine?
The canonical SMILES for 2-(3-chlorophenyl)-3-(3-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine is Cc1c[nH]c2nccc(-c3c(-c4cccc(Cl)c4)nn4c3CNCC4)c12.
What is the InChIKey of 2-(3-chlorophenyl)-3-(3-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine?
The InChIKey is RBANNLMWMBNVHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN5/c1-12-10-24-20-17(12)15(5-6-23-20)18-16-11-22-7-8-26(16)25-19(18)13-3-2-4-14(21)9-13/h2-6,9-10,22H,7-8,11H2,1H3,(H,23,24).
What are the key properties of 2-(3-chlorophenyl)-3-(3-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine?
2-(3-chlorophenyl)-3-(3-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine has a molecular weight of 363.85 g/mol, XLogP of 4.16, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-3-(3-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine is sourced from PubChem (CID 170327888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).