1H-pyrrolo[3,2-b]pyridin-3-yl-[4-(1,3-thiazol-2-ylmethyl)piperidin-1-yl]methanone

C17H18N4OS — CID 136557542

IUPAC1H-pyrrolo[3,2-b]pyridin-3-yl-[4-(1,3-thiazol-2-ylmethyl)piperidin-1-yl]methanone
SMILESO=C(c1c[nH]c2cccnc12)N1CCC(Cc2nccs2)CC1
InChIInChI=1S/C17H18N4OS/c22-17(13-11-20-14-2-1-5-19-16(13)14)21-7-3-12(4-8-21)10-15-18-6-9-23-15/h1-2,5-6,9,11-12,20H,3-4,7-8,10H2
InChIKeyJTUTVXCIROVYKF-UHFFFAOYSA-N
MW326.42 g/mol
LogP3.11
Rot. Bonds3

About 1H-pyrrolo[3,2-b]pyridin-3-yl-[4-(1,3-thiazol-2-ylmethyl)piperidin-1-yl]methanone

1H-pyrrolo[3,2-b]pyridin-3-yl-[4-(1,3-thiazol-2-ylmethyl)piperidin-1-yl]methanone (PubChem CID 136557542) has the molecular formula C17H18N4OS and a molecular weight of 326.42 g/mol. Its IUPAC name is 1H-pyrrolo[3,2-b]pyridin-3-yl-[4-(1,3-thiazol-2-ylmethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name1H-pyrrolo[3,2-b]pyridin-3-yl-[4-(1,3-thiazol-2-ylmethyl)piperidin-1-yl]methanone
PubChem CID136557542
Molecular FormulaC17H18N4OS
Molecular Weight326.42 g/mol
Exact Mass326.12
IUPAC Name1H-pyrrolo[3,2-b]pyridin-3-yl-[4-(1,3-thiazol-2-ylmethyl)piperidin-1-yl]methanone
SMILESO=C(c1c[nH]c2cccnc12)N1CCC(Cc2nccs2)CC1
InChIInChI=1S/C17H18N4OS/c22-17(13-11-20-14-2-1-5-19-16(13)14)21-7-3-12(4-8-21)10-15-18-6-9-23-15/h1-2,5-6,9,11-12,20H,3-4,7-8,10H2
InChIKeyJTUTVXCIROVYKF-UHFFFAOYSA-N
XLogP3.11
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1H-pyrrolo[3,2-b]pyridin-3-yl-[4-(1,3-thiazol-2-ylmethyl)piperidin-1-yl]methanone with MolForge

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Related Compounds

pyridin-2-yl-[(3R)-3-(1,3-thiazol-2-ylmethyl)pyrrolidin-1-yl]methanone
CID 125024711
(1-methylpyrazol-3-yl)-[4-(1,3-thiazol-2-ylmethyl)piperidin-1-yl]methanone
CID 95824418
(3-methyl-2-pyridinyl)-[3-(1,3-thiazol-2-ylmethyl)pyrrolidin-1-yl]methanone
CID 127245569
(2-hydroxyphenyl)-[4-(1H-pyrrolo[3,2-b]pyridin-3-yl)piperidin-1-yl]methanone
CID 84580016
(4-aminopiperidin-1-yl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 110474946
pyridin-2-yl-[(3R)-3-(1,3-thiazol-2-ylmethyl)piperidin-1-yl]methanone
CID 95845120
(4-chlorophenyl)-[(3S)-3-(1,3-thiazol-2-ylmethyl)pyrrolidin-1-yl]methanone
CID 125016946
(1-methylpyrazol-3-yl)-[3-(1,3-thiazol-2-ylmethyl)pyrrolidin-1-yl]methanone
CID 127245559
pyridin-2-yl-[4-(quinolin-8-ylmethyl)piperidin-1-yl]methanone
CID 175652239
(2-chlorophenyl)-[4-(1H-indol-3-ylmethyl)piperidin-1-yl]methanone
CID 113086545
2-amino-1-(1H-pyrrolo[3,2-b]pyridin-3-yl)ethanone
CID 82411246
(3-ethylpyrrolidin-1-yl)-(1H-indol-3-yl)methanone
CID 113253973

Frequently Asked Questions

What is the IUPAC name of 1H-pyrrolo[3,2-b]pyridin-3-yl-[4-(1,3-thiazol-2-ylmethyl)piperidin-1-yl]methanone?
The IUPAC name of 1H-pyrrolo[3,2-b]pyridin-3-yl-[4-(1,3-thiazol-2-ylmethyl)piperidin-1-yl]methanone (CID 136557542) is 1H-pyrrolo[3,2-b]pyridin-3-yl-[4-(1,3-thiazol-2-ylmethyl)piperidin-1-yl]methanone.
What is the SMILES notation for 1H-pyrrolo[3,2-b]pyridin-3-yl-[4-(1,3-thiazol-2-ylmethyl)piperidin-1-yl]methanone?
The canonical SMILES for 1H-pyrrolo[3,2-b]pyridin-3-yl-[4-(1,3-thiazol-2-ylmethyl)piperidin-1-yl]methanone is O=C(c1c[nH]c2cccnc12)N1CCC(Cc2nccs2)CC1.
What is the InChIKey of 1H-pyrrolo[3,2-b]pyridin-3-yl-[4-(1,3-thiazol-2-ylmethyl)piperidin-1-yl]methanone?
The InChIKey is JTUTVXCIROVYKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4OS/c22-17(13-11-20-14-2-1-5-19-16(13)14)21-7-3-12(4-8-21)10-15-18-6-9-23-15/h1-2,5-6,9,11-12,20H,3-4,7-8,10H2.
What are the key properties of 1H-pyrrolo[3,2-b]pyridin-3-yl-[4-(1,3-thiazol-2-ylmethyl)piperidin-1-yl]methanone?
1H-pyrrolo[3,2-b]pyridin-3-yl-[4-(1,3-thiazol-2-ylmethyl)piperidin-1-yl]methanone has a molecular weight of 326.42 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-pyrrolo[3,2-b]pyridin-3-yl-[4-(1,3-thiazol-2-ylmethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 136557542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).