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

C23H23N5O — CID 100673448

IUPAC(3-cyclopropylimidazo[1,5-a]pyridin-1-yl)-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]methanone
SMILESO=C(c1nc(C2CC2)n2ccccc12)N1CCC(c2c[nH]c3ncccc23)CC1
InChIInChI=1S/C23H23N5O/c29-23(20-19-5-1-2-11-28(19)22(26-20)16-6-7-16)27-12-8-15(9-13-27)18-14-25-21-17(18)4-3-10-24-21/h1-5,10-11,14-16H,6-9,12-13H2,(H,24,25)
InChIKeyYFDUVYBABXSVJL-UHFFFAOYSA-N
MW385.47 g/mol
LogP4.11
Rot. Bonds3

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

(3-cyclopropylimidazo[1,5-a]pyridin-1-yl)-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]methanone (PubChem CID 100673448) has the molecular formula C23H23N5O and a molecular weight of 385.47 g/mol. Its IUPAC name is (3-cyclopropylimidazo[1,5-a]pyridin-1-yl)-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-cyclopropylimidazo[1,5-a]pyridin-1-yl)-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]methanone
PubChem CID100673448
Molecular FormulaC23H23N5O
Molecular Weight385.47 g/mol
Exact Mass385.19
IUPAC Name(3-cyclopropylimidazo[1,5-a]pyridin-1-yl)-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]methanone
SMILESO=C(c1nc(C2CC2)n2ccccc12)N1CCC(c2c[nH]c3ncccc23)CC1
InChIInChI=1S/C23H23N5O/c29-23(20-19-5-1-2-11-28(19)22(26-20)16-6-7-16)27-12-8-15(9-13-27)18-14-25-21-17(18)4-3-10-24-21/h1-5,10-11,14-16H,6-9,12-13H2,(H,24,25)
InChIKeyYFDUVYBABXSVJL-UHFFFAOYSA-N
XLogP4.11
TPSA66.29 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 ≤ 54.11
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
1-benzofuran-5-yl-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]methanone
CID 162749353
(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
3-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrrolidine-1-carbonyl fluoride
CID 89186227
4-phenyl-1-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]butan-1-one
CID 60571114
[1-(3-cyclopropylimidazo[1,5-a]pyridine-1-carbonyl)piperidin-4-yl]-morpholin-4-ylmethanone
CID 110613813
(5-methoxypyrazin-2-yl)-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]methanone
CID 162749473
[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
(5-methyl-1-phenylpyrazol-4-yl)-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]methanone
CID 162749277
(2R)-2-phenoxy-1-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]propan-1-one
CID 124731707

Frequently Asked Questions

What is the IUPAC name of (3-cyclopropylimidazo[1,5-a]pyridin-1-yl)-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]methanone?
The IUPAC name of (3-cyclopropylimidazo[1,5-a]pyridin-1-yl)-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]methanone (CID 100673448) is (3-cyclopropylimidazo[1,5-a]pyridin-1-yl)-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (3-cyclopropylimidazo[1,5-a]pyridin-1-yl)-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]methanone?
The canonical SMILES for (3-cyclopropylimidazo[1,5-a]pyridin-1-yl)-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]methanone is O=C(c1nc(C2CC2)n2ccccc12)N1CCC(c2c[nH]c3ncccc23)CC1.
What is the InChIKey of (3-cyclopropylimidazo[1,5-a]pyridin-1-yl)-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]methanone?
The InChIKey is YFDUVYBABXSVJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O/c29-23(20-19-5-1-2-11-28(19)22(26-20)16-6-7-16)27-12-8-15(9-13-27)18-14-25-21-17(18)4-3-10-24-21/h1-5,10-11,14-16H,6-9,12-13H2,(H,24,25).
What are the key properties of (3-cyclopropylimidazo[1,5-a]pyridin-1-yl)-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]methanone?
(3-cyclopropylimidazo[1,5-a]pyridin-1-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 4.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-cyclopropylimidazo[1,5-a]pyridin-1-yl)-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 100673448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).