(5R)-5-[5-[[(5R)-3-chloro-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]amino]-2-fluorophenyl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine

C19H21ClFN5O2S — CID 122435135

IUPAC(5R)-5-[5-[[(5R)-3-chloro-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]amino]-2-fluorophenyl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine
SMILESCN1C(N)=N[C@](C)(c2cc(N[C@@H]3CCc4ncc(Cl)cc43)ccc2F)CS1(=O)=O
InChIInChI=1S/C19H21ClFN5O2S/c1-19(10-29(27,28)26(2)18(22)25-19)14-8-12(3-4-15(14)21)24-17-6-5-16-13(17)7-11(20)9-23-16/h3-4,7-9,17,24H,5-6,10H2,1-2H3,(H2,22,25)/t17-,19+/m1/s1
InChIKeyAWMWBVLHSLMMBZ-MJGOQNOKSA-N
MW437.93 g/mol
LogP2.78
Rot. Bonds3

About (5R)-5-[5-[[(5R)-3-chloro-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]amino]-2-fluorophenyl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine

(5R)-5-[5-[[(5R)-3-chloro-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]amino]-2-fluorophenyl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine (PubChem CID 122435135) has the molecular formula C19H21ClFN5O2S and a molecular weight of 437.93 g/mol. Its IUPAC name is (5R)-5-[5-[[(5R)-3-chloro-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]amino]-2-fluorophenyl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine.

Molecular Properties

Compound Name(5R)-5-[5-[[(5R)-3-chloro-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]amino]-2-fluorophenyl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine
PubChem CID122435135
Molecular FormulaC19H21ClFN5O2S
Molecular Weight437.93 g/mol
Exact Mass437.11
IUPAC Name(5R)-5-[5-[[(5R)-3-chloro-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]amino]-2-fluorophenyl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine
SMILESCN1C(N)=N[C@](C)(c2cc(N[C@@H]3CCc4ncc(Cl)cc43)ccc2F)CS1(=O)=O
InChIInChI=1S/C19H21ClFN5O2S/c1-19(10-29(27,28)26(2)18(22)25-19)14-8-12(3-4-15(14)21)24-17-6-5-16-13(17)7-11(20)9-23-16/h3-4,7-9,17,24H,5-6,10H2,1-2H3,(H2,22,25)/t17-,19+/m1/s1
InChIKeyAWMWBVLHSLMMBZ-MJGOQNOKSA-N
XLogP2.78
TPSA100.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.93
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (5R)-5-[5-[[(5R)-3-chloro-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]amino]-2-fluorophenyl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-[5-[[(5R)-3-chloro-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]amino]-2-fluorophenyl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine?
The IUPAC name of (5R)-5-[5-[[(5R)-3-chloro-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]amino]-2-fluorophenyl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine (CID 122435135) is (5R)-5-[5-[[(5R)-3-chloro-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]amino]-2-fluorophenyl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine.
What is the SMILES notation for (5R)-5-[5-[[(5R)-3-chloro-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]amino]-2-fluorophenyl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine?
The canonical SMILES for (5R)-5-[5-[[(5R)-3-chloro-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]amino]-2-fluorophenyl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine is CN1C(N)=N[C@](C)(c2cc(N[C@@H]3CCc4ncc(Cl)cc43)ccc2F)CS1(=O)=O.
What is the InChIKey of (5R)-5-[5-[[(5R)-3-chloro-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]amino]-2-fluorophenyl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine?
The InChIKey is AWMWBVLHSLMMBZ-MJGOQNOKSA-N. The full InChI is InChI=1S/C19H21ClFN5O2S/c1-19(10-29(27,28)26(2)18(22)25-19)14-8-12(3-4-15(14)21)24-17-6-5-16-13(17)7-11(20)9-23-16/h3-4,7-9,17,24H,5-6,10H2,1-2H3,(H2,22,25)/t17-,19+/m1/s1.
What are the key properties of (5R)-5-[5-[[(5R)-3-chloro-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]amino]-2-fluorophenyl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine?
(5R)-5-[5-[[(5R)-3-chloro-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]amino]-2-fluorophenyl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine has a molecular weight of 437.93 g/mol, XLogP of 2.78, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[5-[[(5R)-3-chloro-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]amino]-2-fluorophenyl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine is sourced from PubChem (CID 122435135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).