N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-5-fluoro-2,3-dihydro-1H-indene-1-carboxamide

C16H17FN4O — CID 166243908

IUPACN-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-5-fluoro-2,3-dihydro-1H-indene-1-carboxamide
SMILESO=C(NCc1nnc2n1CCC2)C1CCc2cc(F)ccc21
InChIInChI=1S/C16H17FN4O/c17-11-4-6-12-10(8-11)3-5-13(12)16(22)18-9-15-20-19-14-2-1-7-21(14)15/h4,6,8,13H,1-3,5,7,9H2,(H,18,22)
InChIKeyITPBEKQJTJRZMO-UHFFFAOYSA-N
MW300.34 g/mol
LogP1.71
Rot. Bonds3

About N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-5-fluoro-2,3-dihydro-1H-indene-1-carboxamide

N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-5-fluoro-2,3-dihydro-1H-indene-1-carboxamide (PubChem CID 166243908) has the molecular formula C16H17FN4O and a molecular weight of 300.34 g/mol. Its IUPAC name is N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-5-fluoro-2,3-dihydro-1H-indene-1-carboxamide.

Molecular Properties

Compound NameN-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-5-fluoro-2,3-dihydro-1H-indene-1-carboxamide
PubChem CID166243908
Molecular FormulaC16H17FN4O
Molecular Weight300.34 g/mol
Exact Mass300.14
IUPAC NameN-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-5-fluoro-2,3-dihydro-1H-indene-1-carboxamide
SMILESO=C(NCc1nnc2n1CCC2)C1CCc2cc(F)ccc21
InChIInChI=1S/C16H17FN4O/c17-11-4-6-12-10(8-11)3-5-13(12)16(22)18-9-15-20-19-14-2-1-7-21(14)15/h4,6,8,13H,1-3,5,7,9H2,(H,18,22)
InChIKeyITPBEKQJTJRZMO-UHFFFAOYSA-N
XLogP1.71
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,4-difluorophenyl)-5-oxo-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 126767497
(1R)-N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-5-fluoro-2,3-dihydro-1H-indene-1-carboxamide;hydrochloride
CID 170897085
2-amino-N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-4-fluoro-N-methylbenzamide
CID 63110336
3-fluoro-N-[2-oxo-2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethylamino)ethyl]benzamide
CID 78837123
cis-(1R,2S)-2-(3-chlorophenyl)-N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)cyclopropane-1-carboxamide
CID 97077113
1-[3-(difluoromethoxy)phenyl]-3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)urea
CID 51081801
1-[(4-fluorophenyl)methyl]-2-methyl-3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)guanidine
CID 111231949
N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-3-(2-fluorophenyl)benzamide
CID 131926590
(4S)-N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-2,3,4,5-tetrahydro-1-benzoxepine-4-carboxamide
CID 97277177
N-[(4-fluorophenyl)methyl]-2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)propanamide
CID 167880020
1-[(1S)-2,3-dihydro-1H-inden-1-yl]-3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)urea
CID 94021346
1-[(2S)-2-(3,4-difluorophenyl)-2-hydroxyethyl]-3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)urea
CID 97076666

Frequently Asked Questions

What is the IUPAC name of N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-5-fluoro-2,3-dihydro-1H-indene-1-carboxamide?
The IUPAC name of N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-5-fluoro-2,3-dihydro-1H-indene-1-carboxamide (CID 166243908) is N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-5-fluoro-2,3-dihydro-1H-indene-1-carboxamide.
What is the SMILES notation for N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-5-fluoro-2,3-dihydro-1H-indene-1-carboxamide?
The canonical SMILES for N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-5-fluoro-2,3-dihydro-1H-indene-1-carboxamide is O=C(NCc1nnc2n1CCC2)C1CCc2cc(F)ccc21.
What is the InChIKey of N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-5-fluoro-2,3-dihydro-1H-indene-1-carboxamide?
The InChIKey is ITPBEKQJTJRZMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN4O/c17-11-4-6-12-10(8-11)3-5-13(12)16(22)18-9-15-20-19-14-2-1-7-21(14)15/h4,6,8,13H,1-3,5,7,9H2,(H,18,22).
What are the key properties of N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-5-fluoro-2,3-dihydro-1H-indene-1-carboxamide?
N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-5-fluoro-2,3-dihydro-1H-indene-1-carboxamide has a molecular weight of 300.34 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-5-fluoro-2,3-dihydro-1H-indene-1-carboxamide is sourced from PubChem (CID 166243908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).