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

C19H23N5O — CID 78318731

IUPAC1-[4-[1-methyl-3-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazol-5-yl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(c2cc(-c3cnc4[nH]cc(C)c4c3)nn2C)CC1
InChIInChI=1S/C19H23N5O/c1-12-10-20-19-16(12)8-15(11-21-19)17-9-18(23(3)22-17)14-4-6-24(7-5-14)13(2)25/h8-11,14H,4-7H2,1-3H3,(H,20,21)
InChIKeyGFPKESFPAJCYOX-UHFFFAOYSA-N
MW337.43 g/mol
LogP3.00
Rot. Bonds2

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

1-[4-[1-methyl-3-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazol-5-yl]piperidin-1-yl]ethanone (PubChem CID 78318731) has the molecular formula C19H23N5O and a molecular weight of 337.43 g/mol. Its IUPAC name is 1-[4-[1-methyl-3-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazol-5-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[1-methyl-3-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazol-5-yl]piperidin-1-yl]ethanone
PubChem CID78318731
Molecular FormulaC19H23N5O
Molecular Weight337.43 g/mol
Exact Mass337.19
IUPAC Name1-[4-[1-methyl-3-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazol-5-yl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(c2cc(-c3cnc4[nH]cc(C)c4c3)nn2C)CC1
InChIInChI=1S/C19H23N5O/c1-12-10-20-19-16(12)8-15(11-21-19)17-9-18(23(3)22-17)14-4-6-24(7-5-14)13(2)25/h8-11,14H,4-7H2,1-3H3,(H,20,21)
InChIKeyGFPKESFPAJCYOX-UHFFFAOYSA-N
XLogP3.00
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[1-methyl-3-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazol-5-yl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[1-methyl-3-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazol-5-yl]piperidin-1-yl]ethanone (CID 78318731) is 1-[4-[1-methyl-3-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazol-5-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[1-methyl-3-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazol-5-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[1-methyl-3-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazol-5-yl]piperidin-1-yl]ethanone is CC(=O)N1CCC(c2cc(-c3cnc4[nH]cc(C)c4c3)nn2C)CC1.
What is the InChIKey of 1-[4-[1-methyl-3-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazol-5-yl]piperidin-1-yl]ethanone?
The InChIKey is GFPKESFPAJCYOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O/c1-12-10-20-19-16(12)8-15(11-21-19)17-9-18(23(3)22-17)14-4-6-24(7-5-14)13(2)25/h8-11,14H,4-7H2,1-3H3,(H,20,21).
What are the key properties of 1-[4-[1-methyl-3-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazol-5-yl]piperidin-1-yl]ethanone?
1-[4-[1-methyl-3-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazol-5-yl]piperidin-1-yl]ethanone has a molecular weight of 337.43 g/mol, XLogP of 3.00, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[1-methyl-3-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazol-5-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 78318731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).