3-[1-[(1-cyclopropylpiperidin-4-yl)methyl]pyrazol-4-yl]-6-fluoro-1H-indole

C20H23FN4 — CID 118060411

IUPAC3-[1-[(1-cyclopropylpiperidin-4-yl)methyl]pyrazol-4-yl]-6-fluoro-1H-indole
SMILESFc1ccc2c(-c3cnn(CC4CCN(C5CC5)CC4)c3)c[nH]c2c1
InChIInChI=1S/C20H23FN4/c21-16-1-4-18-19(11-22-20(18)9-16)15-10-23-25(13-15)12-14-5-7-24(8-6-14)17-2-3-17/h1,4,9-11,13-14,17,22H,2-3,5-8,12H2
InChIKeyGPEQQFARUIGALB-UHFFFAOYSA-N
MW338.43 g/mol
LogP4.04
Rot. Bonds4

About 3-[1-[(1-cyclopropylpiperidin-4-yl)methyl]pyrazol-4-yl]-6-fluoro-1H-indole

3-[1-[(1-cyclopropylpiperidin-4-yl)methyl]pyrazol-4-yl]-6-fluoro-1H-indole (PubChem CID 118060411) has the molecular formula C20H23FN4 and a molecular weight of 338.43 g/mol. Its IUPAC name is 3-[1-[(1-cyclopropylpiperidin-4-yl)methyl]pyrazol-4-yl]-6-fluoro-1H-indole.

Molecular Properties

Compound Name3-[1-[(1-cyclopropylpiperidin-4-yl)methyl]pyrazol-4-yl]-6-fluoro-1H-indole
PubChem CID118060411
Molecular FormulaC20H23FN4
Molecular Weight338.43 g/mol
Exact Mass338.19
IUPAC Name3-[1-[(1-cyclopropylpiperidin-4-yl)methyl]pyrazol-4-yl]-6-fluoro-1H-indole
SMILESFc1ccc2c(-c3cnn(CC4CCN(C5CC5)CC4)c3)c[nH]c2c1
InChIInChI=1S/C20H23FN4/c21-16-1-4-18-19(11-22-20(18)9-16)15-10-23-25(13-15)12-14-5-7-24(8-6-14)17-2-3-17/h1,4,9-11,13-14,17,22H,2-3,5-8,12H2
InChIKeyGPEQQFARUIGALB-UHFFFAOYSA-N
XLogP4.04
TPSA36.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Serdemetan
CID 11609586
Nerispirdine
CID 3081185
Indole, 3-((4-methylpiperidino)methyl)-
CID 30438
6-Fluoro-3-((1E)-2-(3-pyridinyl)ethenyl)-1H-indole
CID 10014426
N-Skatylpiperidine
CID 21454
3-pyridin-4-yl-1H-indazole
CID 12412578
Gevotroline
CID 60547
Indole, 3-((2-methylpiperidino)methyl)-
CID 29499
2-[2,2-bis(1H-indol-3-yl)ethyl]aniline
CID 236191
3-Indolecarboxylaldehyde, azine
CID 135400613
6-fluoro-3-(piperidin-4-yl)-1H-indole
CID 11096077
5-fluoro-3-(piperidin-4-yl)-1H-indole
CID 11769929

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(1-cyclopropylpiperidin-4-yl)methyl]pyrazol-4-yl]-6-fluoro-1H-indole?
The IUPAC name of 3-[1-[(1-cyclopropylpiperidin-4-yl)methyl]pyrazol-4-yl]-6-fluoro-1H-indole (CID 118060411) is 3-[1-[(1-cyclopropylpiperidin-4-yl)methyl]pyrazol-4-yl]-6-fluoro-1H-indole.
What is the SMILES notation for 3-[1-[(1-cyclopropylpiperidin-4-yl)methyl]pyrazol-4-yl]-6-fluoro-1H-indole?
The canonical SMILES for 3-[1-[(1-cyclopropylpiperidin-4-yl)methyl]pyrazol-4-yl]-6-fluoro-1H-indole is Fc1ccc2c(-c3cnn(CC4CCN(C5CC5)CC4)c3)c[nH]c2c1.
What is the InChIKey of 3-[1-[(1-cyclopropylpiperidin-4-yl)methyl]pyrazol-4-yl]-6-fluoro-1H-indole?
The InChIKey is GPEQQFARUIGALB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN4/c21-16-1-4-18-19(11-22-20(18)9-16)15-10-23-25(13-15)12-14-5-7-24(8-6-14)17-2-3-17/h1,4,9-11,13-14,17,22H,2-3,5-8,12H2.
What are the key properties of 3-[1-[(1-cyclopropylpiperidin-4-yl)methyl]pyrazol-4-yl]-6-fluoro-1H-indole?
3-[1-[(1-cyclopropylpiperidin-4-yl)methyl]pyrazol-4-yl]-6-fluoro-1H-indole has a molecular weight of 338.43 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(1-cyclopropylpiperidin-4-yl)methyl]pyrazol-4-yl]-6-fluoro-1H-indole is sourced from PubChem (CID 118060411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).