6-propyl-N-[(3S)-pyrrolidin-3-yl]-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]thieno[2,3-d]pyrimidin-2-amine

C19H23F3N8S — CID 58334019

IUPAC6-propyl-N-[(3S)-pyrrolidin-3-yl]-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]thieno[2,3-d]pyrimidin-2-amine
SMILESCCCc1cc2c(N3CCn4c(nnc4C(F)(F)F)C3)nc(N[C@H]3CCNC3)nc2s1
InChIInChI=1S/C19H23F3N8S/c1-2-3-12-8-13-15(25-18(26-16(13)31-12)24-11-4-5-23-9-11)29-6-7-30-14(10-29)27-28-17(30)19(20,21)22/h8,11,23H,2-7,9-10H2,1H3,(H,24,25,26)/t11-/m0/s1
InChIKeyKWKSQOVXCBJDEQ-NSHDSACASA-N
MW452.51 g/mol
LogP3.05
Rot. Bonds5

About 6-propyl-N-[(3S)-pyrrolidin-3-yl]-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]thieno[2,3-d]pyrimidin-2-amine

6-propyl-N-[(3S)-pyrrolidin-3-yl]-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]thieno[2,3-d]pyrimidin-2-amine (PubChem CID 58334019) has the molecular formula C19H23F3N8S and a molecular weight of 452.51 g/mol. Its IUPAC name is 6-propyl-N-[(3S)-pyrrolidin-3-yl]-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]thieno[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Name6-propyl-N-[(3S)-pyrrolidin-3-yl]-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]thieno[2,3-d]pyrimidin-2-amine
PubChem CID58334019
Molecular FormulaC19H23F3N8S
Molecular Weight452.51 g/mol
Exact Mass452.17
IUPAC Name6-propyl-N-[(3S)-pyrrolidin-3-yl]-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]thieno[2,3-d]pyrimidin-2-amine
SMILESCCCc1cc2c(N3CCn4c(nnc4C(F)(F)F)C3)nc(N[C@H]3CCNC3)nc2s1
InChIInChI=1S/C19H23F3N8S/c1-2-3-12-8-13-15(25-18(26-16(13)31-12)24-11-4-5-23-9-11)29-6-7-30-14(10-29)27-28-17(30)19(20,21)22/h8,11,23H,2-7,9-10H2,1H3,(H,24,25,26)/t11-/m0/s1
InChIKeyKWKSQOVXCBJDEQ-NSHDSACASA-N
XLogP3.05
TPSA83.79 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.51
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 6-propyl-N-[(3S)-pyrrolidin-3-yl]-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]thieno[2,3-d]pyrimidin-2-amine with MolForge

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Related Compounds

N-(azetidin-3-yl)-6-propyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]thieno[2,3-d]pyrimidin-2-amine
CID 58333859
N-cyclopentyl-6-propyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]thieno[2,3-d]pyrimidin-2-amine
CID 58333957
2-(azetidin-3-yloxy)-6-propyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]thieno[2,3-d]pyrimidine
CID 58333847
6-propyl-2-(2H-tetrazol-5-yl)-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]thieno[2,3-d]pyrimidine
CID 58333786
6-propyl-2-[[(2R)-pyrrolidin-2-yl]methoxy]-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]thieno[2,3-d]pyrimidine
CID 58333846
2-(3-methylpiperidin-1-yl)-6-propyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]thieno[2,3-d]pyrimidine
CID 70909950
2-[4-(cyclopentylmethyl)piperazin-1-yl]-6-propyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]thieno[2,3-d]pyrimidine
CID 58334237
N-[1-[6-propyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]thieno[2,3-d]pyrimidin-2-yl]pyrrolidin-3-yl]propanamide
CID 123989575
4-[6-propyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]thieno[2,3-d]pyrimidin-2-yl]oxybutan-1-amine
CID 58334393
1-methyl-4-[6-propyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]thieno[2,3-d]pyrimidin-2-yl]piperazin-2-one
CID 58333943
N'-methyl-N'-[6-propyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]thieno[2,3-d]pyrimidin-2-yl]ethane-1,2-diamine
CID 58333828
2-methyl-N-[1-[6-propyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]thieno[2,3-d]pyrimidin-2-yl]piperidin-3-yl]propanamide
CID 67230474

Frequently Asked Questions

What is the IUPAC name of 6-propyl-N-[(3S)-pyrrolidin-3-yl]-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]thieno[2,3-d]pyrimidin-2-amine?
The IUPAC name of 6-propyl-N-[(3S)-pyrrolidin-3-yl]-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]thieno[2,3-d]pyrimidin-2-amine (CID 58334019) is 6-propyl-N-[(3S)-pyrrolidin-3-yl]-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]thieno[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for 6-propyl-N-[(3S)-pyrrolidin-3-yl]-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]thieno[2,3-d]pyrimidin-2-amine?
The canonical SMILES for 6-propyl-N-[(3S)-pyrrolidin-3-yl]-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]thieno[2,3-d]pyrimidin-2-amine is CCCc1cc2c(N3CCn4c(nnc4C(F)(F)F)C3)nc(N[C@H]3CCNC3)nc2s1.
What is the InChIKey of 6-propyl-N-[(3S)-pyrrolidin-3-yl]-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]thieno[2,3-d]pyrimidin-2-amine?
The InChIKey is KWKSQOVXCBJDEQ-NSHDSACASA-N. The full InChI is InChI=1S/C19H23F3N8S/c1-2-3-12-8-13-15(25-18(26-16(13)31-12)24-11-4-5-23-9-11)29-6-7-30-14(10-29)27-28-17(30)19(20,21)22/h8,11,23H,2-7,9-10H2,1H3,(H,24,25,26)/t11-/m0/s1.
What are the key properties of 6-propyl-N-[(3S)-pyrrolidin-3-yl]-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]thieno[2,3-d]pyrimidin-2-amine?
6-propyl-N-[(3S)-pyrrolidin-3-yl]-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]thieno[2,3-d]pyrimidin-2-amine has a molecular weight of 452.51 g/mol, XLogP of 3.05, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propyl-N-[(3S)-pyrrolidin-3-yl]-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]thieno[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 58334019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).