4-[(9S)-9-(trifluoromethyl)-6-azaspiro[3.5]nonan-6-yl]pyrido[2,3-d]pyrimidin-7-amine

C16H18F3N5 — CID 129344710

IUPAC4-[(9S)-9-(trifluoromethyl)-6-azaspiro[3.5]nonan-6-yl]pyrido[2,3-d]pyrimidin-7-amine
SMILESNc1ccc2c(N3CC[C@H](C(F)(F)F)C4(CCC4)C3)ncnc2n1
InChIInChI=1S/C16H18F3N5/c17-16(18,19)11-4-7-24(8-15(11)5-1-6-15)14-10-2-3-12(20)23-13(10)21-9-22-14/h2-3,9,11H,1,4-8H2,(H2,20,21,22,23)/t11-/m0/s1
InChIKeyBUQCLCHPKCFQAO-NSHDSACASA-N
MW337.35 g/mol
LogP3.17
Rot. Bonds1

About 4-[(9S)-9-(trifluoromethyl)-6-azaspiro[3.5]nonan-6-yl]pyrido[2,3-d]pyrimidin-7-amine

4-[(9S)-9-(trifluoromethyl)-6-azaspiro[3.5]nonan-6-yl]pyrido[2,3-d]pyrimidin-7-amine (PubChem CID 129344710) has the molecular formula C16H18F3N5 and a molecular weight of 337.35 g/mol. Its IUPAC name is 4-[(9S)-9-(trifluoromethyl)-6-azaspiro[3.5]nonan-6-yl]pyrido[2,3-d]pyrimidin-7-amine.

Molecular Properties

Compound Name4-[(9S)-9-(trifluoromethyl)-6-azaspiro[3.5]nonan-6-yl]pyrido[2,3-d]pyrimidin-7-amine
PubChem CID129344710
Molecular FormulaC16H18F3N5
Molecular Weight337.35 g/mol
Exact Mass337.15
IUPAC Name4-[(9S)-9-(trifluoromethyl)-6-azaspiro[3.5]nonan-6-yl]pyrido[2,3-d]pyrimidin-7-amine
SMILESNc1ccc2c(N3CC[C@H](C(F)(F)F)C4(CCC4)C3)ncnc2n1
InChIInChI=1S/C16H18F3N5/c17-16(18,19)11-4-7-24(8-15(11)5-1-6-15)14-10-2-3-12(20)23-13(10)21-9-22-14/h2-3,9,11H,1,4-8H2,(H2,20,21,22,23)/t11-/m0/s1
InChIKeyBUQCLCHPKCFQAO-NSHDSACASA-N
XLogP3.17
TPSA67.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.35
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[(9S)-9-(trifluoromethyl)-6-azaspiro[3.5]nonan-6-yl]pyrido[2,3-d]pyrimidin-7-amine with MolForge

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Related Compounds

4-[(9R)-9-(trifluoromethyl)-6-azaspiro[3.5]nonan-6-yl]pyrido[2,3-d]pyrimidin-7-amine
CID 129344709
[1-(7-aminopyrido[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 133408361
[4-(7-aminopyrido[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-cyclopentylmethanone
CID 133408843
2-(7H-purin-6-yl)-5-(trifluoromethyl)-9-oxa-2-azaspiro[5.5]undecane
CID 128728141
[1-(7-aminopyrido[2,3-d]pyrimidin-4-yl)-4-(2,2-difluoroethyl)piperidin-4-yl]methanol
CID 166307195
4-[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]pyrido[2,3-d]pyrimidin-7-amine
CID 133408364
4-[4-(1,3-thiazol-2-yl)-1,4-diazepan-1-yl]pyrido[2,3-d]pyrimidin-7-amine
CID 75434688
4-[4-(2-methoxyethyl)piperazin-1-yl]pyrido[2,3-d]pyrimidin-7-amine
CID 133408246
4-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-7-amine
CID 133407155
[4-(7-aminopyrido[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-(4-ethylphenyl)methanone
CID 133409016
4-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]pyrido[2,3-d]pyrimidin-7-amine
CID 133407726
4-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-7-amine
CID 133407178

Frequently Asked Questions

What is the IUPAC name of 4-[(9S)-9-(trifluoromethyl)-6-azaspiro[3.5]nonan-6-yl]pyrido[2,3-d]pyrimidin-7-amine?
The IUPAC name of 4-[(9S)-9-(trifluoromethyl)-6-azaspiro[3.5]nonan-6-yl]pyrido[2,3-d]pyrimidin-7-amine (CID 129344710) is 4-[(9S)-9-(trifluoromethyl)-6-azaspiro[3.5]nonan-6-yl]pyrido[2,3-d]pyrimidin-7-amine.
What is the SMILES notation for 4-[(9S)-9-(trifluoromethyl)-6-azaspiro[3.5]nonan-6-yl]pyrido[2,3-d]pyrimidin-7-amine?
The canonical SMILES for 4-[(9S)-9-(trifluoromethyl)-6-azaspiro[3.5]nonan-6-yl]pyrido[2,3-d]pyrimidin-7-amine is Nc1ccc2c(N3CC[C@H](C(F)(F)F)C4(CCC4)C3)ncnc2n1.
What is the InChIKey of 4-[(9S)-9-(trifluoromethyl)-6-azaspiro[3.5]nonan-6-yl]pyrido[2,3-d]pyrimidin-7-amine?
The InChIKey is BUQCLCHPKCFQAO-NSHDSACASA-N. The full InChI is InChI=1S/C16H18F3N5/c17-16(18,19)11-4-7-24(8-15(11)5-1-6-15)14-10-2-3-12(20)23-13(10)21-9-22-14/h2-3,9,11H,1,4-8H2,(H2,20,21,22,23)/t11-/m0/s1.
What are the key properties of 4-[(9S)-9-(trifluoromethyl)-6-azaspiro[3.5]nonan-6-yl]pyrido[2,3-d]pyrimidin-7-amine?
4-[(9S)-9-(trifluoromethyl)-6-azaspiro[3.5]nonan-6-yl]pyrido[2,3-d]pyrimidin-7-amine has a molecular weight of 337.35 g/mol, XLogP of 3.17, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(9S)-9-(trifluoromethyl)-6-azaspiro[3.5]nonan-6-yl]pyrido[2,3-d]pyrimidin-7-amine is sourced from PubChem (CID 129344710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).