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

C26H24N4O2S — CID 142581468

IUPAC1-[4-[6-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]phenyl]cyclopropane-1-carbonitrile
SMILESN#CC1(c2ccc(-c3c(C(=O)N4CCN(C(=O)C5CC5)CC4)cnc4ccsc34)cc2)CC1
InChIInChI=1S/C26H24N4O2S/c27-16-26(8-9-26)19-5-3-17(4-6-19)22-20(15-28-21-7-14-33-23(21)22)25(32)30-12-10-29(11-13-30)24(31)18-1-2-18/h3-7,14-15,18H,1-2,8-13H2
InChIKeyQHKKUEBSRRDZMN-UHFFFAOYSA-N
MW456.57 g/mol
LogP4.21
Rot. Bonds4

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

1-[4-[6-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]phenyl]cyclopropane-1-carbonitrile (PubChem CID 142581468) has the molecular formula C26H24N4O2S and a molecular weight of 456.57 g/mol. Its IUPAC name is 1-[4-[6-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]phenyl]cyclopropane-1-carbonitrile.

Molecular Properties

Compound Name1-[4-[6-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]phenyl]cyclopropane-1-carbonitrile
PubChem CID142581468
Molecular FormulaC26H24N4O2S
Molecular Weight456.57 g/mol
Exact Mass456.16
IUPAC Name1-[4-[6-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]phenyl]cyclopropane-1-carbonitrile
SMILESN#CC1(c2ccc(-c3c(C(=O)N4CCN(C(=O)C5CC5)CC4)cnc4ccsc34)cc2)CC1
InChIInChI=1S/C26H24N4O2S/c27-16-26(8-9-26)19-5-3-17(4-6-19)22-20(15-28-21-7-14-33-23(21)22)25(32)30-12-10-29(11-13-30)24(31)18-1-2-18/h3-7,14-15,18H,1-2,8-13H2
InChIKeyQHKKUEBSRRDZMN-UHFFFAOYSA-N
XLogP4.21
TPSA77.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.57
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[4-[6-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]phenyl]cyclopropane-1-carbonitrile with MolForge

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Related Compounds

1-[4-[6-(4-methylsulfonylpiperazine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]phenyl]cyclopropane-1-carbonitrile
CID 142581379
1-[4-[3-(4-methylpiperazine-1-carbonyl)-6-[methyl(propyl)boranyl]quinolin-4-yl]phenyl]cyclopropane-1-carbonitrile
CID 171561044
1-[4-[6-ethenyl-3-(4-methylsulfonylpiperazine-1-carbonyl)quinolin-4-yl]phenyl]cyclopropane-1-carbonitrile
CID 174243811
1-[5-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]thieno[2,3-b]pyridin-4-yl]-4-methylpiperidine-4-carbonitrile
CID 142581573
1-(cyclopentanecarbonyl)-4-phenylpiperidine-4-carbonitrile
CID 110711530
cyclopropyl-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 53498835
cyclopropyl-[4-(1,3-thiazole-4-carbonyl)piperazin-1-yl]methanone
CID 63049768
1-[4-[3-(4-methylsulfonylpiperazine-1-carbonyl)-8-nitro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinolin-4-yl]phenyl]cyclopropane-1-carbonitrile
CID 171561042
cyclopropyl-[4-[4-(4,4-dimethylcyclohexen-1-yl)-6-fluoroquinoline-3-carbonyl]piperazin-1-yl]methanone
CID 142581457
1-[3-(4-methylsulfonylpiperazine-1-carbonyl)quinolin-4-yl]-4-(4-trimethylstannylphenyl)piperidine-4-carbonitrile
CID 171561032
piperidin-1-yl-(1-thieno[3,2-b]pyridin-7-ylpiperidin-3-yl)methanone
CID 166601294
[4-(4-chloropyridine-3-carbonyl)piperazin-1-yl]-cyclopropylmethanone
CID 81225735

Frequently Asked Questions

What is the IUPAC name of 1-[4-[6-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]phenyl]cyclopropane-1-carbonitrile?
The IUPAC name of 1-[4-[6-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]phenyl]cyclopropane-1-carbonitrile (CID 142581468) is 1-[4-[6-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]phenyl]cyclopropane-1-carbonitrile.
What is the SMILES notation for 1-[4-[6-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]phenyl]cyclopropane-1-carbonitrile?
The canonical SMILES for 1-[4-[6-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]phenyl]cyclopropane-1-carbonitrile is N#CC1(c2ccc(-c3c(C(=O)N4CCN(C(=O)C5CC5)CC4)cnc4ccsc34)cc2)CC1.
What is the InChIKey of 1-[4-[6-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]phenyl]cyclopropane-1-carbonitrile?
The InChIKey is QHKKUEBSRRDZMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O2S/c27-16-26(8-9-26)19-5-3-17(4-6-19)22-20(15-28-21-7-14-33-23(21)22)25(32)30-12-10-29(11-13-30)24(31)18-1-2-18/h3-7,14-15,18H,1-2,8-13H2.
What are the key properties of 1-[4-[6-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]phenyl]cyclopropane-1-carbonitrile?
1-[4-[6-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]phenyl]cyclopropane-1-carbonitrile has a molecular weight of 456.57 g/mol, XLogP of 4.21, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[6-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]phenyl]cyclopropane-1-carbonitrile is sourced from PubChem (CID 142581468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).