3-[1-[[5-(3-methylphenyl)-1H-pyrazol-4-yl]methyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridine

C23H23N5 — CID 167858768

IUPAC3-[1-[[5-(3-methylphenyl)-1H-pyrazol-4-yl]methyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridine
SMILESCc1cccc(-c2[nH]ncc2CN2CC=C(c3c[nH]c4ncccc34)CC2)c1
InChIInChI=1S/C23H23N5/c1-16-4-2-5-18(12-16)22-19(13-26-27-22)15-28-10-7-17(8-11-28)21-14-25-23-20(21)6-3-9-24-23/h2-7,9,12-14H,8,10-11,15H2,1H3,(H,24,25)(H,26,27)
InChIKeyZHWRQZQPYAFYPP-UHFFFAOYSA-N
MW369.47 g/mol
LogP4.55
Rot. Bonds4

About 3-[1-[[5-(3-methylphenyl)-1H-pyrazol-4-yl]methyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridine

3-[1-[[5-(3-methylphenyl)-1H-pyrazol-4-yl]methyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridine (PubChem CID 167858768) has the molecular formula C23H23N5 and a molecular weight of 369.47 g/mol. Its IUPAC name is 3-[1-[[5-(3-methylphenyl)-1H-pyrazol-4-yl]methyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name3-[1-[[5-(3-methylphenyl)-1H-pyrazol-4-yl]methyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridine
PubChem CID167858768
Molecular FormulaC23H23N5
Molecular Weight369.47 g/mol
Exact Mass369.20
IUPAC Name3-[1-[[5-(3-methylphenyl)-1H-pyrazol-4-yl]methyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridine
SMILESCc1cccc(-c2[nH]ncc2CN2CC=C(c3c[nH]c4ncccc34)CC2)c1
InChIInChI=1S/C23H23N5/c1-16-4-2-5-18(12-16)22-19(13-26-27-22)15-28-10-7-17(8-11-28)21-14-25-23-20(21)6-3-9-24-23/h2-7,9,12-14H,8,10-11,15H2,1H3,(H,24,25)(H,26,27)
InChIKeyZHWRQZQPYAFYPP-UHFFFAOYSA-N
XLogP4.55
TPSA60.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[[5-(3-methylphenyl)-1H-pyrazol-4-yl]methyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 3-[1-[[5-(3-methylphenyl)-1H-pyrazol-4-yl]methyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridine (CID 167858768) is 3-[1-[[5-(3-methylphenyl)-1H-pyrazol-4-yl]methyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 3-[1-[[5-(3-methylphenyl)-1H-pyrazol-4-yl]methyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 3-[1-[[5-(3-methylphenyl)-1H-pyrazol-4-yl]methyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridine is Cc1cccc(-c2[nH]ncc2CN2CC=C(c3c[nH]c4ncccc34)CC2)c1.
What is the InChIKey of 3-[1-[[5-(3-methylphenyl)-1H-pyrazol-4-yl]methyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is ZHWRQZQPYAFYPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5/c1-16-4-2-5-18(12-16)22-19(13-26-27-22)15-28-10-7-17(8-11-28)21-14-25-23-20(21)6-3-9-24-23/h2-7,9,12-14H,8,10-11,15H2,1H3,(H,24,25)(H,26,27).
What are the key properties of 3-[1-[[5-(3-methylphenyl)-1H-pyrazol-4-yl]methyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridine?
3-[1-[[5-(3-methylphenyl)-1H-pyrazol-4-yl]methyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 369.47 g/mol, XLogP of 4.55, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[[5-(3-methylphenyl)-1H-pyrazol-4-yl]methyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 167858768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).