4-[1-[(5-cyclopropylthiophen-2-yl)methyl]piperidin-4-yl]-1H-pyrrolo[2,3-b]pyridine

C20H23N3S — CID 162749012

IUPAC4-[1-[(5-cyclopropylthiophen-2-yl)methyl]piperidin-4-yl]-1H-pyrrolo[2,3-b]pyridine
SMILESc1cc(C2CCN(Cc3ccc(C4CC4)s3)CC2)c2cc[nH]c2n1
InChIInChI=1S/C20H23N3S/c1-2-15(1)19-4-3-16(24-19)13-23-11-7-14(8-12-23)17-5-9-21-20-18(17)6-10-22-20/h3-6,9-10,14-15H,1-2,7-8,11-13H2,(H,21,22)
InChIKeyKFPRHROCIOKKNO-UHFFFAOYSA-N
MW337.49 g/mol
LogP4.88
Rot. Bonds4

About 4-[1-[(5-cyclopropylthiophen-2-yl)methyl]piperidin-4-yl]-1H-pyrrolo[2,3-b]pyridine

4-[1-[(5-cyclopropylthiophen-2-yl)methyl]piperidin-4-yl]-1H-pyrrolo[2,3-b]pyridine (PubChem CID 162749012) has the molecular formula C20H23N3S and a molecular weight of 337.49 g/mol. Its IUPAC name is 4-[1-[(5-cyclopropylthiophen-2-yl)methyl]piperidin-4-yl]-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name4-[1-[(5-cyclopropylthiophen-2-yl)methyl]piperidin-4-yl]-1H-pyrrolo[2,3-b]pyridine
PubChem CID162749012
Molecular FormulaC20H23N3S
Molecular Weight337.49 g/mol
Exact Mass337.16
IUPAC Name4-[1-[(5-cyclopropylthiophen-2-yl)methyl]piperidin-4-yl]-1H-pyrrolo[2,3-b]pyridine
SMILESc1cc(C2CCN(Cc3ccc(C4CC4)s3)CC2)c2cc[nH]c2n1
InChIInChI=1S/C20H23N3S/c1-2-15(1)19-4-3-16(24-19)13-23-11-7-14(8-12-23)17-5-9-21-20-18(17)6-10-22-20/h3-6,9-10,14-15H,1-2,7-8,11-13H2,(H,21,22)
InChIKeyKFPRHROCIOKKNO-UHFFFAOYSA-N
XLogP4.88
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.49
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[1-[(5-cyclopropylthiophen-2-yl)methyl]piperidin-4-yl]-1H-pyrrolo[2,3-b]pyridine with MolForge

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Related Compounds

4-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-1H-pyrrolo[2,3-b]pyridine
CID 141455734
4-[1-(5-methylthiophen-2-yl)sulfonylpiperidin-4-yl]-1H-pyrrolo[2,3-b]pyridine
CID 162749068
3-oxo-3-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-1-yl]propanenitrile
CID 175807836
(1-ethylpyrazol-4-yl)-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-1-yl]methanone
CID 162749190
3-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-4,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
CID 136980302
1-[(5-cyclopentylthiophen-2-yl)methyl]pyrrolidin-3-amine
CID 77092531
1-[(5-cyclohexylthiophen-2-yl)methyl]-3-methoxypyrrolidine
CID 77090707
4-(2-chlorocyclopent-2-en-1-yl)-1H-pyrrolo[2,3-b]pyridine
CID 67135612
(2Z)-3-hydroxy-2-[[2-[4-(2-hydroxyethyl)piperazin-1-yl]ethylamino]methylidene]-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)cyclohexan-1-one
CID 154938219
(4R)-3-cyclopropyl-1-methyl-4-[5-(piperidin-1-ylmethyl)thiophen-2-yl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136820646
2-[1-[(5-pyrazolidin-3-ylthiophen-2-yl)methyl]piperidin-4-yl]-1H-benzimidazole
CID 134127852
6-[[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]methyl]pyridine-3-carbonitrile
CID 146093163

Frequently Asked Questions

What is the IUPAC name of 4-[1-[(5-cyclopropylthiophen-2-yl)methyl]piperidin-4-yl]-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 4-[1-[(5-cyclopropylthiophen-2-yl)methyl]piperidin-4-yl]-1H-pyrrolo[2,3-b]pyridine (CID 162749012) is 4-[1-[(5-cyclopropylthiophen-2-yl)methyl]piperidin-4-yl]-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 4-[1-[(5-cyclopropylthiophen-2-yl)methyl]piperidin-4-yl]-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 4-[1-[(5-cyclopropylthiophen-2-yl)methyl]piperidin-4-yl]-1H-pyrrolo[2,3-b]pyridine is c1cc(C2CCN(Cc3ccc(C4CC4)s3)CC2)c2cc[nH]c2n1.
What is the InChIKey of 4-[1-[(5-cyclopropylthiophen-2-yl)methyl]piperidin-4-yl]-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is KFPRHROCIOKKNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3S/c1-2-15(1)19-4-3-16(24-19)13-23-11-7-14(8-12-23)17-5-9-21-20-18(17)6-10-22-20/h3-6,9-10,14-15H,1-2,7-8,11-13H2,(H,21,22).
What are the key properties of 4-[1-[(5-cyclopropylthiophen-2-yl)methyl]piperidin-4-yl]-1H-pyrrolo[2,3-b]pyridine?
4-[1-[(5-cyclopropylthiophen-2-yl)methyl]piperidin-4-yl]-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 337.49 g/mol, XLogP of 4.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(5-cyclopropylthiophen-2-yl)methyl]piperidin-4-yl]-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 162749012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).