3-(cyclopropylmethyl)-1-(2,3-difluoro-9a,10-dihydro-9H-indeno[1,2-a]inden-4b-yl)-5-hydroxy-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione

C27H23F2N3O3 — CID 146443855

IUPAC3-(cyclopropylmethyl)-1-(2,3-difluoro-9a,10-dihydro-9H-indeno[1,2-a]inden-4b-yl)-5-hydroxy-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione
SMILESO=C1c2c(O)c(=O)ccn2N(C23c4ccccc4CC2Cc2cc(F)c(F)cc23)CN1CC1CC1
InChIInChI=1S/C27H23F2N3O3/c28-21-11-17-10-18-9-16-3-1-2-4-19(16)27(18,20(17)12-22(21)29)32-14-30(13-15-5-6-15)26(35)24-25(34)23(33)7-8-31(24)32/h1-4,7-8,11-12,15,18,34H,5-6,9-10,13-14H2
InChIKeyDPINNKDSYXUOIF-UHFFFAOYSA-N
MW475.50 g/mol
LogP3.27
Rot. Bonds3

About 3-(cyclopropylmethyl)-1-(2,3-difluoro-9a,10-dihydro-9H-indeno[1,2-a]inden-4b-yl)-5-hydroxy-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione

3-(cyclopropylmethyl)-1-(2,3-difluoro-9a,10-dihydro-9H-indeno[1,2-a]inden-4b-yl)-5-hydroxy-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione (PubChem CID 146443855) has the molecular formula C27H23F2N3O3 and a molecular weight of 475.50 g/mol. Its IUPAC name is 3-(cyclopropylmethyl)-1-(2,3-difluoro-9a,10-dihydro-9H-indeno[1,2-a]inden-4b-yl)-5-hydroxy-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione.

Molecular Properties

Compound Name3-(cyclopropylmethyl)-1-(2,3-difluoro-9a,10-dihydro-9H-indeno[1,2-a]inden-4b-yl)-5-hydroxy-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione
PubChem CID146443855
Molecular FormulaC27H23F2N3O3
Molecular Weight475.50 g/mol
Exact Mass475.17
IUPAC Name3-(cyclopropylmethyl)-1-(2,3-difluoro-9a,10-dihydro-9H-indeno[1,2-a]inden-4b-yl)-5-hydroxy-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione
SMILESO=C1c2c(O)c(=O)ccn2N(C23c4ccccc4CC2Cc2cc(F)c(F)cc23)CN1CC1CC1
InChIInChI=1S/C27H23F2N3O3/c28-21-11-17-10-18-9-16-3-1-2-4-19(16)27(18,20(17)12-22(21)29)32-14-30(13-15-5-6-15)26(35)24-25(34)23(33)7-8-31(24)32/h1-4,7-8,11-12,15,18,34H,5-6,9-10,13-14H2
InChIKeyDPINNKDSYXUOIF-UHFFFAOYSA-N
XLogP3.27
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.50
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(cyclopropylmethyl)-1-(2,3-difluoro-9a,10-dihydro-9H-indeno[1,2-a]inden-4b-yl)-5-hydroxy-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylmethyl)-1-(2,3-difluoro-9a,10-dihydro-9H-indeno[1,2-a]inden-4b-yl)-5-hydroxy-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione?
The IUPAC name of 3-(cyclopropylmethyl)-1-(2,3-difluoro-9a,10-dihydro-9H-indeno[1,2-a]inden-4b-yl)-5-hydroxy-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione (CID 146443855) is 3-(cyclopropylmethyl)-1-(2,3-difluoro-9a,10-dihydro-9H-indeno[1,2-a]inden-4b-yl)-5-hydroxy-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione.
What is the SMILES notation for 3-(cyclopropylmethyl)-1-(2,3-difluoro-9a,10-dihydro-9H-indeno[1,2-a]inden-4b-yl)-5-hydroxy-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione?
The canonical SMILES for 3-(cyclopropylmethyl)-1-(2,3-difluoro-9a,10-dihydro-9H-indeno[1,2-a]inden-4b-yl)-5-hydroxy-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione is O=C1c2c(O)c(=O)ccn2N(C23c4ccccc4CC2Cc2cc(F)c(F)cc23)CN1CC1CC1.
What is the InChIKey of 3-(cyclopropylmethyl)-1-(2,3-difluoro-9a,10-dihydro-9H-indeno[1,2-a]inden-4b-yl)-5-hydroxy-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione?
The InChIKey is DPINNKDSYXUOIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23F2N3O3/c28-21-11-17-10-18-9-16-3-1-2-4-19(16)27(18,20(17)12-22(21)29)32-14-30(13-15-5-6-15)26(35)24-25(34)23(33)7-8-31(24)32/h1-4,7-8,11-12,15,18,34H,5-6,9-10,13-14H2.
What are the key properties of 3-(cyclopropylmethyl)-1-(2,3-difluoro-9a,10-dihydro-9H-indeno[1,2-a]inden-4b-yl)-5-hydroxy-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione?
3-(cyclopropylmethyl)-1-(2,3-difluoro-9a,10-dihydro-9H-indeno[1,2-a]inden-4b-yl)-5-hydroxy-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione has a molecular weight of 475.50 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylmethyl)-1-(2,3-difluoro-9a,10-dihydro-9H-indeno[1,2-a]inden-4b-yl)-5-hydroxy-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione is sourced from PubChem (CID 146443855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).