1-[6-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]-4-methylpiperidine-4-carbonitrile

C23H27N5O2S — CID 142581660

IUPAC1-[6-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]-4-methylpiperidine-4-carbonitrile
SMILESCC1(C#N)CCN(c2c(C(=O)N3CCN(C(=O)C4CC4)CC3)cnc3ccsc23)CC1
InChIInChI=1S/C23H27N5O2S/c1-23(15-24)5-7-26(8-6-23)19-17(14-25-18-4-13-31-20(18)19)22(30)28-11-9-27(10-12-28)21(29)16-2-3-16/h4,13-14,16H,2-3,5-12H2,1H3
InChIKeyHEVYKFASCFEPAC-UHFFFAOYSA-N
MW437.57 g/mol
LogP3.12
Rot. Bonds3

About 1-[6-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]-4-methylpiperidine-4-carbonitrile

1-[6-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]-4-methylpiperidine-4-carbonitrile (PubChem CID 142581660) has the molecular formula C23H27N5O2S and a molecular weight of 437.57 g/mol. Its IUPAC name is 1-[6-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]-4-methylpiperidine-4-carbonitrile.

Molecular Properties

Compound Name1-[6-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]-4-methylpiperidine-4-carbonitrile
PubChem CID142581660
Molecular FormulaC23H27N5O2S
Molecular Weight437.57 g/mol
Exact Mass437.19
IUPAC Name1-[6-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]-4-methylpiperidine-4-carbonitrile
SMILESCC1(C#N)CCN(c2c(C(=O)N3CCN(C(=O)C4CC4)CC3)cnc3ccsc23)CC1
InChIInChI=1S/C23H27N5O2S/c1-23(15-24)5-7-26(8-6-23)19-17(14-25-18-4-13-31-20(18)19)22(30)28-11-9-27(10-12-28)21(29)16-2-3-16/h4,13-14,16H,2-3,5-12H2,1H3
InChIKeyHEVYKFASCFEPAC-UHFFFAOYSA-N
XLogP3.12
TPSA80.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.57
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[6-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]-4-methylpiperidine-4-carbonitrile?
The IUPAC name of 1-[6-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]-4-methylpiperidine-4-carbonitrile (CID 142581660) is 1-[6-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]-4-methylpiperidine-4-carbonitrile.
What is the SMILES notation for 1-[6-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]-4-methylpiperidine-4-carbonitrile?
The canonical SMILES for 1-[6-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]-4-methylpiperidine-4-carbonitrile is CC1(C#N)CCN(c2c(C(=O)N3CCN(C(=O)C4CC4)CC3)cnc3ccsc23)CC1.
What is the InChIKey of 1-[6-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]-4-methylpiperidine-4-carbonitrile?
The InChIKey is HEVYKFASCFEPAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O2S/c1-23(15-24)5-7-26(8-6-23)19-17(14-25-18-4-13-31-20(18)19)22(30)28-11-9-27(10-12-28)21(29)16-2-3-16/h4,13-14,16H,2-3,5-12H2,1H3.
What are the key properties of 1-[6-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]-4-methylpiperidine-4-carbonitrile?
1-[6-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]-4-methylpiperidine-4-carbonitrile has a molecular weight of 437.57 g/mol, XLogP of 3.12, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]-4-methylpiperidine-4-carbonitrile is sourced from PubChem (CID 142581660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).