5-[(3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]-3-[1-(2,3-difluorophenyl)tetrazol-5-yl]pyridin-2-amine

C19H19F2N7 — CID 58179717

IUPAC5-[(3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]-3-[1-(2,3-difluorophenyl)tetrazol-5-yl]pyridin-2-amine
SMILESNc1ncc(C2C[C@H]3CNC[C@H]3C2)cc1-c1nnnn1-c1cccc(F)c1F
InChIInChI=1S/C19H19F2N7/c20-15-2-1-3-16(17(15)21)28-19(25-26-27-28)14-6-13(9-24-18(14)22)10-4-11-7-23-8-12(11)5-10/h1-3,6,9-12,23H,4-5,7-8H2,(H2,22,24)/t10?,11-,12+
InChIKeyKEDWYXLYAPROMG-YOGCLGLASA-N
MW383.41 g/mol
LogP2.30
Rot. Bonds3

About 5-[(3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]-3-[1-(2,3-difluorophenyl)tetrazol-5-yl]pyridin-2-amine

5-[(3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]-3-[1-(2,3-difluorophenyl)tetrazol-5-yl]pyridin-2-amine (PubChem CID 58179717) has the molecular formula C19H19F2N7 and a molecular weight of 383.41 g/mol. Its IUPAC name is 5-[(3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]-3-[1-(2,3-difluorophenyl)tetrazol-5-yl]pyridin-2-amine.

Molecular Properties

Compound Name5-[(3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]-3-[1-(2,3-difluorophenyl)tetrazol-5-yl]pyridin-2-amine
PubChem CID58179717
Molecular FormulaC19H19F2N7
Molecular Weight383.41 g/mol
Exact Mass383.17
IUPAC Name5-[(3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]-3-[1-(2,3-difluorophenyl)tetrazol-5-yl]pyridin-2-amine
SMILESNc1ncc(C2C[C@H]3CNC[C@H]3C2)cc1-c1nnnn1-c1cccc(F)c1F
InChIInChI=1S/C19H19F2N7/c20-15-2-1-3-16(17(15)21)28-19(25-26-27-28)14-6-13(9-24-18(14)22)10-4-11-7-23-8-12(11)5-10/h1-3,6,9-12,23H,4-5,7-8H2,(H2,22,24)/t10?,11-,12+
InChIKeyKEDWYXLYAPROMG-YOGCLGLASA-N
XLogP2.30
TPSA94.54 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.41
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-[(3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]-3-[1-(2,3-difluorophenyl)tetrazol-5-yl]pyridin-2-amine with MolForge

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Related Compounds

3-(1-cyclopentylpyrazol-4-yl)-N-[(1R)-1-(2,5-difluorophenyl)ethyl]pyrazolo[1,5-a]pyrimidin-5-amine
CID 168289659
N-[(1S,5R)-3-[2-(trifluoromethyl)-4-pyridinyl]-3-azabicyclo[3.2.1]octan-8-yl]-7-(2,3,4-trifluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-2-amine
CID 156009717
7-(3,4-difluorophenyl)-N-[(1S,5R)-3-[2-(trifluoromethyl)-4-pyridinyl]-3-azabicyclo[3.2.1]octan-8-yl]-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-2-amine
CID 156019331
5-(2-fluorophenyl)-7-[(3aR*,6aS*)-hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]pyrazolo[1,5-a]pyrimidine
CID 56906277
N-[[6-(4-fluorophenyl)tetrazolo[1,5-a]pyridin-8-yl]methyl]prop-2-en-1-amine
CID 92548723
4-[1-(7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-3-(2-fluorophenyl)pyrazol-4-yl]-N-(2,2,2-trifluoroethyl)pyridin-2-amine
CID 10095562
4-[1-(7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-3-(4-fluorophenyl)pyrazol-4-yl]-N-(2,2,2-trifluoroethyl)pyridin-2-amine
CID 10253530
3-[1-(2,3-Difluorophenyl)tetrazol-5-yl]-5-[4-[(dimethylamino)methyl]phenyl]pyridin-2-amine
CID 24762465
5-[4-(Diethylaminomethyl)phenyl]-3-[1-(2,3-difluorophenyl)tetrazol-5-yl]pyridin-2-amine
CID 24762467
3-[1-(2,3-Difluorophenyl)tetrazol-5-yl]-5-[4-(pyrrolidin-1-ylmethyl)phenyl]pyridin-2-amine
CID 24762468
3-[1-(2,3-Difluorophenyl)tetrazol-5-yl]-5-pyridin-3-ylpyridin-2-amine
CID 24763195
3-[4-(2,3-Difluorophenyl)-1,2,4-triazol-3-yl]-5-(6-pyrrolidin-1-yl-3-pyridinyl)pyridin-2-amine
CID 24763445

Frequently Asked Questions

What is the IUPAC name of 5-[(3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]-3-[1-(2,3-difluorophenyl)tetrazol-5-yl]pyridin-2-amine?
The IUPAC name of 5-[(3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]-3-[1-(2,3-difluorophenyl)tetrazol-5-yl]pyridin-2-amine (CID 58179717) is 5-[(3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]-3-[1-(2,3-difluorophenyl)tetrazol-5-yl]pyridin-2-amine.
What is the SMILES notation for 5-[(3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]-3-[1-(2,3-difluorophenyl)tetrazol-5-yl]pyridin-2-amine?
The canonical SMILES for 5-[(3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]-3-[1-(2,3-difluorophenyl)tetrazol-5-yl]pyridin-2-amine is Nc1ncc(C2C[C@H]3CNC[C@H]3C2)cc1-c1nnnn1-c1cccc(F)c1F.
What is the InChIKey of 5-[(3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]-3-[1-(2,3-difluorophenyl)tetrazol-5-yl]pyridin-2-amine?
The InChIKey is KEDWYXLYAPROMG-YOGCLGLASA-N. The full InChI is InChI=1S/C19H19F2N7/c20-15-2-1-3-16(17(15)21)28-19(25-26-27-28)14-6-13(9-24-18(14)22)10-4-11-7-23-8-12(11)5-10/h1-3,6,9-12,23H,4-5,7-8H2,(H2,22,24)/t10?,11-,12+.
What are the key properties of 5-[(3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]-3-[1-(2,3-difluorophenyl)tetrazol-5-yl]pyridin-2-amine?
5-[(3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]-3-[1-(2,3-difluorophenyl)tetrazol-5-yl]pyridin-2-amine has a molecular weight of 383.41 g/mol, XLogP of 2.30, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]-3-[1-(2,3-difluorophenyl)tetrazol-5-yl]pyridin-2-amine is sourced from PubChem (CID 58179717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).