4-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)pyrrolo[2,1-f][1,2,4]triazine

C22H25N5 — CID 142594728

IUPAC4-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)pyrrolo[2,1-f][1,2,4]triazine
SMILESCC(C)c1c(-c2ncnn3cccc23)[nH]c2ccc(C3CCNCC3)cc12
InChIInChI=1S/C22H25N5/c1-14(2)20-17-12-16(15-7-9-23-10-8-15)5-6-18(17)26-22(20)21-19-4-3-11-27(19)25-13-24-21/h3-6,11-15,23,26H,7-10H2,1-2H3
InChIKeyWSSXDMFZUVJPQP-UHFFFAOYSA-N
MW359.48 g/mol
LogP4.47
Rot. Bonds3

About 4-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)pyrrolo[2,1-f][1,2,4]triazine

4-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)pyrrolo[2,1-f][1,2,4]triazine (PubChem CID 142594728) has the molecular formula C22H25N5 and a molecular weight of 359.48 g/mol. Its IUPAC name is 4-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)pyrrolo[2,1-f][1,2,4]triazine.

Molecular Properties

Compound Name4-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)pyrrolo[2,1-f][1,2,4]triazine
PubChem CID142594728
Molecular FormulaC22H25N5
Molecular Weight359.48 g/mol
Exact Mass359.21
IUPAC Name4-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)pyrrolo[2,1-f][1,2,4]triazine
SMILESCC(C)c1c(-c2ncnn3cccc23)[nH]c2ccc(C3CCNCC3)cc12
InChIInChI=1S/C22H25N5/c1-14(2)20-17-12-16(15-7-9-23-10-8-15)5-6-18(17)26-22(20)21-19-4-3-11-27(19)25-13-24-21/h3-6,11-15,23,26H,7-10H2,1-2H3
InChIKeyWSSXDMFZUVJPQP-UHFFFAOYSA-N
XLogP4.47
TPSA58.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.48
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

8-methoxy-6-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)-[1,2,4]triazolo[1,5-a]pyridine;dihydrochloride
CID 140830339
2,5-dimethyl-6-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)pyridazin-3-one
CID 137464299
6-fluoro-2-methyl-5-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)pyrazolo[1,5-a]pyrimidine
CID 142593738
6-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 142594847
5-methyl-7-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)imidazo[1,2-a]pyridine
CID 142594108
7-chloro-5-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)imidazo[1,2-a]pyridine
CID 142594371
5-piperidin-4-yl-3-propan-2-yl-2-(2,3,6-trimethyl-4-pyridinyl)-1H-indole
CID 134330320
2-(3-fluoro-2-methyl-4-pyridinyl)-5-piperidin-4-yl-3-propan-2-yl-1H-indole
CID 134329624
2-(5-chloro-2-fluoro-4-pyridinyl)-5-piperidin-4-yl-3-propan-2-yl-1H-indole
CID 134330056
6-[5-(azetidin-3-yl)-3-propan-2-yl-1H-indol-2-yl]-7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridine
CID 154639610
5-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)-2H-benzotriazole
CID 142593838
5-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)-1H-pyrazolo[3,4-c]pyridine
CID 142594027

Frequently Asked Questions

What is the IUPAC name of 4-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)pyrrolo[2,1-f][1,2,4]triazine?
The IUPAC name of 4-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)pyrrolo[2,1-f][1,2,4]triazine (CID 142594728) is 4-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)pyrrolo[2,1-f][1,2,4]triazine.
What is the SMILES notation for 4-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)pyrrolo[2,1-f][1,2,4]triazine?
The canonical SMILES for 4-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)pyrrolo[2,1-f][1,2,4]triazine is CC(C)c1c(-c2ncnn3cccc23)[nH]c2ccc(C3CCNCC3)cc12.
What is the InChIKey of 4-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)pyrrolo[2,1-f][1,2,4]triazine?
The InChIKey is WSSXDMFZUVJPQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5/c1-14(2)20-17-12-16(15-7-9-23-10-8-15)5-6-18(17)26-22(20)21-19-4-3-11-27(19)25-13-24-21/h3-6,11-15,23,26H,7-10H2,1-2H3.
What are the key properties of 4-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)pyrrolo[2,1-f][1,2,4]triazine?
4-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)pyrrolo[2,1-f][1,2,4]triazine has a molecular weight of 359.48 g/mol, XLogP of 4.47, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)pyrrolo[2,1-f][1,2,4]triazine is sourced from PubChem (CID 142594728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).