(5-bromo-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone

C15H15BrN6O — CID 155961930

IUPAC(5-bromo-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
SMILESO=C(c1ncnc2[nH]cc(Br)c12)N1CCCC(c2ccn[nH]2)C1
InChIInChI=1S/C15H15BrN6O/c16-10-6-17-14-12(10)13(18-8-19-14)15(23)22-5-1-2-9(7-22)11-3-4-20-21-11/h3-4,6,8-9H,1-2,5,7H2,(H,20,21)(H,17,18,19)
InChIKeyQMIUTCBGPWEDOA-UHFFFAOYSA-N
MW375.23 g/mol
LogP2.46
Rot. Bonds2

About (5-bromo-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone

(5-bromo-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone (PubChem CID 155961930) has the molecular formula C15H15BrN6O and a molecular weight of 375.23 g/mol. Its IUPAC name is (5-bromo-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(5-bromo-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
PubChem CID155961930
Molecular FormulaC15H15BrN6O
Molecular Weight375.23 g/mol
Exact Mass374.05
IUPAC Name(5-bromo-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
SMILESO=C(c1ncnc2[nH]cc(Br)c12)N1CCCC(c2ccn[nH]2)C1
InChIInChI=1S/C15H15BrN6O/c16-10-6-17-14-12(10)13(18-8-19-14)15(23)22-5-1-2-9(7-22)11-3-4-20-21-11/h3-4,6,8-9H,1-2,5,7H2,(H,20,21)(H,17,18,19)
InChIKeyQMIUTCBGPWEDOA-UHFFFAOYSA-N
XLogP2.46
TPSA90.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.23
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (5-bromo-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-bromo-1H-pyrrol-2-yl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 54878215
(3-amino-4-bromophenyl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 61110136
[3-(1H-pyrazol-5-yl)piperidin-1-yl]-(2H-triazol-4-yl)methanone
CID 78917987
(2-methylpyrimidin-4-yl)-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 95768636
(2-bromo-5-methylphenyl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 80983810
(2R)-2-amino-3-methyl-1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]butan-1-one
CID 79012541
1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone
CID 62867071
cyclopropyl-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 62866717
(3-bromo-5-methylphenyl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 104852380
(2-amino-6-chlorophenyl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 63658805
(4-methyl-1,3-thiazol-5-yl)-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 95845547
(2-methylpyrazol-3-yl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 110271023

Frequently Asked Questions

What is the IUPAC name of (5-bromo-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone?
The IUPAC name of (5-bromo-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone (CID 155961930) is (5-bromo-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (5-bromo-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone?
The canonical SMILES for (5-bromo-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone is O=C(c1ncnc2[nH]cc(Br)c12)N1CCCC(c2ccn[nH]2)C1.
What is the InChIKey of (5-bromo-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone?
The InChIKey is QMIUTCBGPWEDOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN6O/c16-10-6-17-14-12(10)13(18-8-19-14)15(23)22-5-1-2-9(7-22)11-3-4-20-21-11/h3-4,6,8-9H,1-2,5,7H2,(H,20,21)(H,17,18,19).
What are the key properties of (5-bromo-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone?
(5-bromo-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone has a molecular weight of 375.23 g/mol, XLogP of 2.46, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 155961930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).