7-cyclopentyl-5-methyl-N-(1-methylsulfonylpiperidin-4-yl)pyrrolo[2,1-f][1,2,4]triazin-2-amine

C18H27N5O2S — CID 169117200

IUPAC7-cyclopentyl-5-methyl-N-(1-methylsulfonylpiperidin-4-yl)pyrrolo[2,1-f][1,2,4]triazin-2-amine
SMILESCc1cc(C2CCCC2)n2nc(NC3CCN(S(C)(=O)=O)CC3)ncc12
InChIInChI=1S/C18H27N5O2S/c1-13-11-16(14-5-3-4-6-14)23-17(13)12-19-18(21-23)20-15-7-9-22(10-8-15)26(2,24)25/h11-12,14-15H,3-10H2,1-2H3,(H,20,21)
InChIKeyUVRZRRZDOVQVLN-UHFFFAOYSA-N
MW377.51 g/mol
LogP2.53
Rot. Bonds4

About 7-cyclopentyl-5-methyl-N-(1-methylsulfonylpiperidin-4-yl)pyrrolo[2,1-f][1,2,4]triazin-2-amine

7-cyclopentyl-5-methyl-N-(1-methylsulfonylpiperidin-4-yl)pyrrolo[2,1-f][1,2,4]triazin-2-amine (PubChem CID 169117200) has the molecular formula C18H27N5O2S and a molecular weight of 377.51 g/mol. Its IUPAC name is 7-cyclopentyl-5-methyl-N-(1-methylsulfonylpiperidin-4-yl)pyrrolo[2,1-f][1,2,4]triazin-2-amine.

Molecular Properties

Compound Name7-cyclopentyl-5-methyl-N-(1-methylsulfonylpiperidin-4-yl)pyrrolo[2,1-f][1,2,4]triazin-2-amine
PubChem CID169117200
Molecular FormulaC18H27N5O2S
Molecular Weight377.51 g/mol
Exact Mass377.19
IUPAC Name7-cyclopentyl-5-methyl-N-(1-methylsulfonylpiperidin-4-yl)pyrrolo[2,1-f][1,2,4]triazin-2-amine
SMILESCc1cc(C2CCCC2)n2nc(NC3CCN(S(C)(=O)=O)CC3)ncc12
InChIInChI=1S/C18H27N5O2S/c1-13-11-16(14-5-3-4-6-14)23-17(13)12-19-18(21-23)20-15-7-9-22(10-8-15)26(2,24)25/h11-12,14-15H,3-10H2,1-2H3,(H,20,21)
InChIKeyUVRZRRZDOVQVLN-UHFFFAOYSA-N
XLogP2.53
TPSA79.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.51
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 7-cyclopentyl-5-methyl-N-(1-methylsulfonylpiperidin-4-yl)pyrrolo[2,1-f][1,2,4]triazin-2-amine with MolForge

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Related Compounds

7-cyclopentyl-5-fluoro-N-(thian-4-yl)pyrrolo[2,1-f][1,2,4]triazin-2-amine
CID 169118087
8-cyclopentyl-6-methyl-2-[(1-methylsulfonylpiperidin-4-yl)amino]pyrido[2,3-d]pyrimidin-7-one
CID 134253054
(3R,4R)-4-[[5-fluoro-7-(oxan-4-yl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]-1-methylsulfonylpiperidin-3-ol
CID 170060832
6-methyl-2-[(1-methylsulfonylpiperidin-4-yl)amino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one
CID 164925501
cis-(1S,2R)-2-[5-bromo-2-[(1-methylsulfonylpiperidin-4-yl)amino]pyrimidin-4-yl]oxycycloheptan-1-ol
CID 167090086
1-[6-methyl-2-[(1-methylsulfonylpiperidin-4-yl)amino]pyrido[3,4-d]pyrimidin-8-yl]piperidin-4-ol
CID 170740332
2-[5-bromo-2-[(1-methylsulfonylpiperidin-4-yl)amino]pyrimidin-4-yl]oxycycloheptan-1-ol
CID 167089967
3-methyl-5-[5-methyl-2-[(1-methylsulfonylpiperidin-4-yl)amino]pyrimidin-4-yl]imidazole-4-carbonitrile
CID 158896200
N-(1-methylsulfonylpiperidin-4-yl)pyrido[2,3-d]pyrimidin-2-amine
CID 175728686
N-(1-methylsulfonylpiperidin-4-yl)pyrido[3,4-d]pyrimidin-2-amine
CID 176901310
7-cyclopentyl-5-fluoropyrrolo[2,1-f][1,2,4]triazin-2-amine;1-methylsulfonylpiperidin-3-one
CID 169116976
7-cyclopentyl-5-fluoro-2-[[(3R,4R)-3-fluoro-1-methylsulfonylpiperidin-4-yl]amino]pyrrolo[2,1-f][1,2,4]triazine-6-carbonitrile
CID 170064781

Frequently Asked Questions

What is the IUPAC name of 7-cyclopentyl-5-methyl-N-(1-methylsulfonylpiperidin-4-yl)pyrrolo[2,1-f][1,2,4]triazin-2-amine?
The IUPAC name of 7-cyclopentyl-5-methyl-N-(1-methylsulfonylpiperidin-4-yl)pyrrolo[2,1-f][1,2,4]triazin-2-amine (CID 169117200) is 7-cyclopentyl-5-methyl-N-(1-methylsulfonylpiperidin-4-yl)pyrrolo[2,1-f][1,2,4]triazin-2-amine.
What is the SMILES notation for 7-cyclopentyl-5-methyl-N-(1-methylsulfonylpiperidin-4-yl)pyrrolo[2,1-f][1,2,4]triazin-2-amine?
The canonical SMILES for 7-cyclopentyl-5-methyl-N-(1-methylsulfonylpiperidin-4-yl)pyrrolo[2,1-f][1,2,4]triazin-2-amine is Cc1cc(C2CCCC2)n2nc(NC3CCN(S(C)(=O)=O)CC3)ncc12.
What is the InChIKey of 7-cyclopentyl-5-methyl-N-(1-methylsulfonylpiperidin-4-yl)pyrrolo[2,1-f][1,2,4]triazin-2-amine?
The InChIKey is UVRZRRZDOVQVLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O2S/c1-13-11-16(14-5-3-4-6-14)23-17(13)12-19-18(21-23)20-15-7-9-22(10-8-15)26(2,24)25/h11-12,14-15H,3-10H2,1-2H3,(H,20,21).
What are the key properties of 7-cyclopentyl-5-methyl-N-(1-methylsulfonylpiperidin-4-yl)pyrrolo[2,1-f][1,2,4]triazin-2-amine?
7-cyclopentyl-5-methyl-N-(1-methylsulfonylpiperidin-4-yl)pyrrolo[2,1-f][1,2,4]triazin-2-amine has a molecular weight of 377.51 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclopentyl-5-methyl-N-(1-methylsulfonylpiperidin-4-yl)pyrrolo[2,1-f][1,2,4]triazin-2-amine is sourced from PubChem (CID 169117200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).