1-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)-4-thieno[3,2-b]pyridin-2-ylsulfonylpiperazin-2-one

C19H17N5O3S2 — CID 10938859

IUPAC1-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)-4-thieno[3,2-b]pyridin-2-ylsulfonylpiperazin-2-one
SMILESO=C1CN(S(=O)(=O)c2cc3ncccc3s2)CCN1Cc1cc2cnccc2[nH]1
InChIInChI=1S/C19H17N5O3S2/c25-18-12-24(29(26,27)19-9-16-17(28-19)2-1-4-21-16)7-6-23(18)11-14-8-13-10-20-5-3-15(13)22-14/h1-5,8-10,22H,6-7,11-12H2
InChIKeyYIQKAPCYLQPOKQ-UHFFFAOYSA-N
MW427.51 g/mol
LogP2.21
Rot. Bonds4

About 1-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)-4-thieno[3,2-b]pyridin-2-ylsulfonylpiperazin-2-one

1-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)-4-thieno[3,2-b]pyridin-2-ylsulfonylpiperazin-2-one (PubChem CID 10938859) has the molecular formula C19H17N5O3S2 and a molecular weight of 427.51 g/mol. Its IUPAC name is 1-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)-4-thieno[3,2-b]pyridin-2-ylsulfonylpiperazin-2-one.

Molecular Properties

Compound Name1-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)-4-thieno[3,2-b]pyridin-2-ylsulfonylpiperazin-2-one
PubChem CID10938859
Molecular FormulaC19H17N5O3S2
Molecular Weight427.51 g/mol
Exact Mass427.08
IUPAC Name1-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)-4-thieno[3,2-b]pyridin-2-ylsulfonylpiperazin-2-one
SMILESO=C1CN(S(=O)(=O)c2cc3ncccc3s2)CCN1Cc1cc2cnccc2[nH]1
InChIInChI=1S/C19H17N5O3S2/c25-18-12-24(29(26,27)19-9-16-17(28-19)2-1-4-21-16)7-6-23(18)11-14-8-13-10-20-5-3-15(13)22-14/h1-5,8-10,22H,6-7,11-12H2
InChIKeyYIQKAPCYLQPOKQ-UHFFFAOYSA-N
XLogP2.21
TPSA99.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.51
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Thieno(3,2-B)pyridine-2-sulfonic acid (2-oxo-1-(1H-pyrrolo(2,3-C)pyridin-2-ylmethyl)-pyrrolidin-3-YL)-amide
CID 445481
4-(((E)-2-(5-Chlorothien-2-YL)vinyl)sulfonyl)-1-(1H-pyrrolo(3,2-C)pyridin-2-ylmethyl)piperazin-2-one
CID 447360
4-[5-(5-chlorothiophen-2-yl)thiophen-2-yl]sulfonyl-1-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)piperazin-2-one
CID 11016482
4-(6-Bromo-benzo[b]thiophene-2-sulfonyl)-1-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)-piperazin-2-one
CID 11016622
4-(6-Chlorobenzo[b]thiophene-2-sulfonyl)-1-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)piperazin-2-one
CID 11059588
4-(Benzo[b]thiophene-2-sulfonyl)-1-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)-piperazin-2-one
CID 11069944
4-[2-(5-Chloro-thiophen-2-yl)-ethanesulfonyl]-1-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)-piperazin-2-one
CID 11070206
4-(6-Chloro-benzo[b]thiophene-2-sulfonyl)-1-(1H-pyrrolo[2,3-c]pyridin-2-ylmethyl)-piperazin-2-one
CID 11730232
4-(6-Chloro-thieno[2,3-b]pyridine-2-sulfonyl)-1-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)-piperazin-2-one
CID 11762323
2-{2-[4-(6-Chloro-benzo[b]thiophene-2-sulfonyl)-2-oxo-piperazin-1-ylmethyl]-pyrrolo[3,2-c]pyridin-1-yl}-acetamide
CID 11813305
3-[(S)-2-Oxo-3-(thieno[3,2-b]pyridine-2-sulfonylamino)-pyrrolidin-1-ylmethyl]-benzamidine
CID 22883585
N-(4-(phenylsulfonyl)benzyl)thiazolo[5,4-c]pyridine-2-carboxamide
CID 68277336

Frequently Asked Questions

What is the IUPAC name of 1-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)-4-thieno[3,2-b]pyridin-2-ylsulfonylpiperazin-2-one?
The IUPAC name of 1-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)-4-thieno[3,2-b]pyridin-2-ylsulfonylpiperazin-2-one (CID 10938859) is 1-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)-4-thieno[3,2-b]pyridin-2-ylsulfonylpiperazin-2-one.
What is the SMILES notation for 1-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)-4-thieno[3,2-b]pyridin-2-ylsulfonylpiperazin-2-one?
The canonical SMILES for 1-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)-4-thieno[3,2-b]pyridin-2-ylsulfonylpiperazin-2-one is O=C1CN(S(=O)(=O)c2cc3ncccc3s2)CCN1Cc1cc2cnccc2[nH]1.
What is the InChIKey of 1-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)-4-thieno[3,2-b]pyridin-2-ylsulfonylpiperazin-2-one?
The InChIKey is YIQKAPCYLQPOKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O3S2/c25-18-12-24(29(26,27)19-9-16-17(28-19)2-1-4-21-16)7-6-23(18)11-14-8-13-10-20-5-3-15(13)22-14/h1-5,8-10,22H,6-7,11-12H2.
What are the key properties of 1-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)-4-thieno[3,2-b]pyridin-2-ylsulfonylpiperazin-2-one?
1-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)-4-thieno[3,2-b]pyridin-2-ylsulfonylpiperazin-2-one has a molecular weight of 427.51 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)-4-thieno[3,2-b]pyridin-2-ylsulfonylpiperazin-2-one is sourced from PubChem (CID 10938859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).