(5-methyl-1-phenylpyrazol-4-yl)-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]methanone

C23H23N5O — CID 162749277

IUPAC(5-methyl-1-phenylpyrazol-4-yl)-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]methanone
SMILESCc1c(C(=O)N2CCC(c3c[nH]c4ncccc34)CC2)cnn1-c1ccccc1
InChIInChI=1S/C23H23N5O/c1-16-20(15-26-28(16)18-6-3-2-4-7-18)23(29)27-12-9-17(10-13-27)21-14-25-22-19(21)8-5-11-24-22/h2-8,11,14-15,17H,9-10,12-13H2,1H3,(H,24,25)
InChIKeyVYTJTIIHIBNHIM-UHFFFAOYSA-N
MW385.47 g/mol
LogP4.08
Rot. Bonds3

About (5-methyl-1-phenylpyrazol-4-yl)-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]methanone

(5-methyl-1-phenylpyrazol-4-yl)-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]methanone (PubChem CID 162749277) has the molecular formula C23H23N5O and a molecular weight of 385.47 g/mol. Its IUPAC name is (5-methyl-1-phenylpyrazol-4-yl)-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(5-methyl-1-phenylpyrazol-4-yl)-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]methanone
PubChem CID162749277
Molecular FormulaC23H23N5O
Molecular Weight385.47 g/mol
Exact Mass385.19
IUPAC Name(5-methyl-1-phenylpyrazol-4-yl)-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]methanone
SMILESCc1c(C(=O)N2CCC(c3c[nH]c4ncccc34)CC2)cnn1-c1ccccc1
InChIInChI=1S/C23H23N5O/c1-16-20(15-26-28(16)18-6-3-2-4-7-18)23(29)27-12-9-17(10-13-27)21-14-25-22-19(21)8-5-11-24-22/h2-8,11,14-15,17H,9-10,12-13H2,1H3,(H,24,25)
InChIKeyVYTJTIIHIBNHIM-UHFFFAOYSA-N
XLogP4.08
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

isoquinolin-3-yl-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]methanone
CID 162749283
(5-methoxypyrazin-2-yl)-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]methanone
CID 162749473
(4-methoxyphenyl)-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]methanone
CID 162749250
N-[4-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidine-1-carbonyl]phenyl]acetamide
CID 162749484
methyl 5-[1-(5-methyl-1-phenylpyrazole-4-carbonyl)piperidin-4-yl]-1H-pyrazole-3-carboxylate
CID 155958342
(4-chloro-2-methoxyphenyl)-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]methanone
CID 136579367
(2R)-2-phenoxy-1-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]propan-1-one
CID 124731707
2-methyl-5-[1-(5-methyl-1-phenylpyrazole-4-carbonyl)piperidin-4-yl]-4-phenyl-1,2,4-triazol-3-one
CID 90540357
[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-[4-(2-methoxyphenyl)piperidin-1-yl]methanone
CID 2810787
N-[1-(5-methyl-1-phenylpyrazole-4-carbonyl)piperidin-4-yl]benzamide
CID 34424786
[4-(methylsulfanylmethyl)phenyl]-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]methanone
CID 87010084
N-[3-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidine-1-carbonyl]phenyl]acetamide
CID 51118955

Frequently Asked Questions

What is the IUPAC name of (5-methyl-1-phenylpyrazol-4-yl)-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]methanone?
The IUPAC name of (5-methyl-1-phenylpyrazol-4-yl)-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]methanone (CID 162749277) is (5-methyl-1-phenylpyrazol-4-yl)-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (5-methyl-1-phenylpyrazol-4-yl)-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]methanone?
The canonical SMILES for (5-methyl-1-phenylpyrazol-4-yl)-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]methanone is Cc1c(C(=O)N2CCC(c3c[nH]c4ncccc34)CC2)cnn1-c1ccccc1.
What is the InChIKey of (5-methyl-1-phenylpyrazol-4-yl)-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]methanone?
The InChIKey is VYTJTIIHIBNHIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O/c1-16-20(15-26-28(16)18-6-3-2-4-7-18)23(29)27-12-9-17(10-13-27)21-14-25-22-19(21)8-5-11-24-22/h2-8,11,14-15,17H,9-10,12-13H2,1H3,(H,24,25).
What are the key properties of (5-methyl-1-phenylpyrazol-4-yl)-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]methanone?
(5-methyl-1-phenylpyrazol-4-yl)-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]methanone has a molecular weight of 385.47 g/mol, XLogP of 4.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-1-phenylpyrazol-4-yl)-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 162749277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).