(4-pyrimidin-2-ylpiperazin-1-yl)-(3-pyrrol-1-ylthieno[2,3-b]pyridin-2-yl)methanone

C20H18N6OS — CID 50800548

IUPAC(4-pyrimidin-2-ylpiperazin-1-yl)-(3-pyrrol-1-ylthieno[2,3-b]pyridin-2-yl)methanone
SMILESO=C(c1sc2ncccc2c1-n1cccc1)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C20H18N6OS/c27-19(25-11-13-26(14-12-25)20-22-7-4-8-23-20)17-16(24-9-1-2-10-24)15-5-3-6-21-18(15)28-17/h1-10H,11-14H2
InChIKeyFWDCKOLMYIMMEV-UHFFFAOYSA-N
MW390.47 g/mol
LogP2.84
Rot. Bonds3

About (4-pyrimidin-2-ylpiperazin-1-yl)-(3-pyrrol-1-ylthieno[2,3-b]pyridin-2-yl)methanone

(4-pyrimidin-2-ylpiperazin-1-yl)-(3-pyrrol-1-ylthieno[2,3-b]pyridin-2-yl)methanone (PubChem CID 50800548) has the molecular formula C20H18N6OS and a molecular weight of 390.47 g/mol. Its IUPAC name is (4-pyrimidin-2-ylpiperazin-1-yl)-(3-pyrrol-1-ylthieno[2,3-b]pyridin-2-yl)methanone.

Molecular Properties

Compound Name(4-pyrimidin-2-ylpiperazin-1-yl)-(3-pyrrol-1-ylthieno[2,3-b]pyridin-2-yl)methanone
PubChem CID50800548
Molecular FormulaC20H18N6OS
Molecular Weight390.47 g/mol
Exact Mass390.13
IUPAC Name(4-pyrimidin-2-ylpiperazin-1-yl)-(3-pyrrol-1-ylthieno[2,3-b]pyridin-2-yl)methanone
SMILESO=C(c1sc2ncccc2c1-n1cccc1)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C20H18N6OS/c27-19(25-11-13-26(14-12-25)20-22-7-4-8-23-20)17-16(24-9-1-2-10-24)15-5-3-6-21-18(15)28-17/h1-10H,11-14H2
InChIKeyFWDCKOLMYIMMEV-UHFFFAOYSA-N
XLogP2.84
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.47
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (4-pyrimidin-2-ylpiperazin-1-yl)-(3-pyrrol-1-ylthieno[2,3-b]pyridin-2-yl)methanone with MolForge

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Related Compounds

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(3-amino-2-pyridinyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
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5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)thiophene-2-carboxylic acid
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pyridazin-3-yl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 110855018
N-[3-(4-propylpiperazin-1-yl)propyl]-3-pyrrol-1-ylthieno[2,3-b]pyridine-2-carboxamide
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(4-methylpiperazin-1-yl)-(3-thiophen-2-ylthieno[2,3-b]pyridin-2-yl)methanone
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N-[1-(1-adamantyl)ethyl]-3-pyrrol-1-ylthieno[2,3-b]pyridine-2-carboxamide
CID 50800554
(1-methylpyrazol-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 4770499
1-benzothiophen-3-yl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 2932774
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Frequently Asked Questions

What is the IUPAC name of (4-pyrimidin-2-ylpiperazin-1-yl)-(3-pyrrol-1-ylthieno[2,3-b]pyridin-2-yl)methanone?
The IUPAC name of (4-pyrimidin-2-ylpiperazin-1-yl)-(3-pyrrol-1-ylthieno[2,3-b]pyridin-2-yl)methanone (CID 50800548) is (4-pyrimidin-2-ylpiperazin-1-yl)-(3-pyrrol-1-ylthieno[2,3-b]pyridin-2-yl)methanone.
What is the SMILES notation for (4-pyrimidin-2-ylpiperazin-1-yl)-(3-pyrrol-1-ylthieno[2,3-b]pyridin-2-yl)methanone?
The canonical SMILES for (4-pyrimidin-2-ylpiperazin-1-yl)-(3-pyrrol-1-ylthieno[2,3-b]pyridin-2-yl)methanone is O=C(c1sc2ncccc2c1-n1cccc1)N1CCN(c2ncccn2)CC1.
What is the InChIKey of (4-pyrimidin-2-ylpiperazin-1-yl)-(3-pyrrol-1-ylthieno[2,3-b]pyridin-2-yl)methanone?
The InChIKey is FWDCKOLMYIMMEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N6OS/c27-19(25-11-13-26(14-12-25)20-22-7-4-8-23-20)17-16(24-9-1-2-10-24)15-5-3-6-21-18(15)28-17/h1-10H,11-14H2.
What are the key properties of (4-pyrimidin-2-ylpiperazin-1-yl)-(3-pyrrol-1-ylthieno[2,3-b]pyridin-2-yl)methanone?
(4-pyrimidin-2-ylpiperazin-1-yl)-(3-pyrrol-1-ylthieno[2,3-b]pyridin-2-yl)methanone has a molecular weight of 390.47 g/mol, XLogP of 2.84, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4-pyrimidin-2-ylpiperazin-1-yl)-(3-pyrrol-1-ylthieno[2,3-b]pyridin-2-yl)methanone is sourced from PubChem (CID 50800548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).