cis-(1R,2S)-2-[4-[[4-(cyclopropylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-5-methylpyrazol-1-yl]-1-methylcyclopropane-1-carbonitrile

C17H18F3N7 — CID 164962715

IUPACcis-(1R,2S)-2-[4-[[4-(cyclopropylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-5-methylpyrazol-1-yl]-1-methylcyclopropane-1-carbonitrile
SMILESCc1c(Nc2ncc(C(F)(F)F)c(NC3CC3)n2)cnn1[C@H]1C[C@@]1(C)C#N
InChIInChI=1S/C17H18F3N7/c1-9-12(7-23-27(9)13-5-16(13,2)8-21)25-15-22-6-11(17(18,19)20)14(26-15)24-10-3-4-10/h6-7,10,13H,3-5H2,1-2H3,(H2,22,24,25,26)/t13-,16-/m0/s1
InChIKeyCBFFWTIHVDPTSU-BBRMVZONSA-N
MW377.37 g/mol
LogP3.79
Rot. Bonds5

About cis-(1R,2S)-2-[4-[[4-(cyclopropylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-5-methylpyrazol-1-yl]-1-methylcyclopropane-1-carbonitrile

cis-(1R,2S)-2-[4-[[4-(cyclopropylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-5-methylpyrazol-1-yl]-1-methylcyclopropane-1-carbonitrile (PubChem CID 164962715) has the molecular formula C17H18F3N7 and a molecular weight of 377.37 g/mol. Its IUPAC name is cis-(1R,2S)-2-[4-[[4-(cyclopropylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-5-methylpyrazol-1-yl]-1-methylcyclopropane-1-carbonitrile.

Molecular Properties

Compound Namecis-(1R,2S)-2-[4-[[4-(cyclopropylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-5-methylpyrazol-1-yl]-1-methylcyclopropane-1-carbonitrile
PubChem CID164962715
Molecular FormulaC17H18F3N7
Molecular Weight377.37 g/mol
Exact Mass377.16
IUPAC Namecis-(1R,2S)-2-[4-[[4-(cyclopropylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-5-methylpyrazol-1-yl]-1-methylcyclopropane-1-carbonitrile
SMILESCc1c(Nc2ncc(C(F)(F)F)c(NC3CC3)n2)cnn1[C@H]1C[C@@]1(C)C#N
InChIInChI=1S/C17H18F3N7/c1-9-12(7-23-27(9)13-5-16(13,2)8-21)25-15-22-6-11(17(18,19)20)14(26-15)24-10-3-4-10/h6-7,10,13H,3-5H2,1-2H3,(H2,22,24,25,26)/t13-,16-/m0/s1
InChIKeyCBFFWTIHVDPTSU-BBRMVZONSA-N
XLogP3.79
TPSA91.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.37
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze cis-(1R,2S)-2-[4-[[4-(cyclopropylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-5-methylpyrazol-1-yl]-1-methylcyclopropane-1-carbonitrile with MolForge

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Related Compounds

2-N-(1-cyclopentyl-5-methylpyrazol-4-yl)-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 145419887
cis-(1S,2R)-2-[3-cyclopropyl-4-[[4-(ethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyrazol-1-yl]-1-methylcyclopropane-1-carbonitrile
CID 146565751
4-N-cyclopropyl-2-N-(5-methyl-1H-pyrazol-4-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 141336716
(2S)-2-[4-[[4-(ethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-5-methylpyrazol-1-yl]cyclopropane-1-carbonitrile
CID 146606155
4-N-ethyl-2-N-[5-methyl-1-[(2R)-2-methylcyclopropyl]pyrazol-4-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 146606154
4-N-cyclopropyl-2-N-(1-cyclopropylindazol-4-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 171597579
4-N-methyl-2-N-[5-methyl-1-[(1R,3R)-3-(triazol-2-yl)cyclopentyl]pyrazol-4-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 140943577
2,2-dimethyl-3-[5-methyl-4-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyrazol-1-yl]propanenitrile
CID 69093123
4-N-cyclopropyl-2-N-(1-methylsulfonylindazol-4-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 171597590
2-N-(1-butylindazol-4-yl)-4-N-cyclopropyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 171597659
4-N-ethyl-2-N-[5-methyl-1-[(6R)-3-methyl-5,6-dihydro-4H-cyclopenta[d][1,2]oxazol-6-yl]pyrazol-4-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 166596514
(2S)-3,3-difluoro-2-methyl-2-[5-methyl-4-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyrazol-1-yl]propanenitrile
CID 166596292

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-[4-[[4-(cyclopropylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-5-methylpyrazol-1-yl]-1-methylcyclopropane-1-carbonitrile?
The IUPAC name of cis-(1R,2S)-2-[4-[[4-(cyclopropylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-5-methylpyrazol-1-yl]-1-methylcyclopropane-1-carbonitrile (CID 164962715) is cis-(1R,2S)-2-[4-[[4-(cyclopropylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-5-methylpyrazol-1-yl]-1-methylcyclopropane-1-carbonitrile.
What is the SMILES notation for cis-(1R,2S)-2-[4-[[4-(cyclopropylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-5-methylpyrazol-1-yl]-1-methylcyclopropane-1-carbonitrile?
The canonical SMILES for cis-(1R,2S)-2-[4-[[4-(cyclopropylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-5-methylpyrazol-1-yl]-1-methylcyclopropane-1-carbonitrile is Cc1c(Nc2ncc(C(F)(F)F)c(NC3CC3)n2)cnn1[C@H]1C[C@@]1(C)C#N.
What is the InChIKey of cis-(1R,2S)-2-[4-[[4-(cyclopropylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-5-methylpyrazol-1-yl]-1-methylcyclopropane-1-carbonitrile?
The InChIKey is CBFFWTIHVDPTSU-BBRMVZONSA-N. The full InChI is InChI=1S/C17H18F3N7/c1-9-12(7-23-27(9)13-5-16(13,2)8-21)25-15-22-6-11(17(18,19)20)14(26-15)24-10-3-4-10/h6-7,10,13H,3-5H2,1-2H3,(H2,22,24,25,26)/t13-,16-/m0/s1.
What are the key properties of cis-(1R,2S)-2-[4-[[4-(cyclopropylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-5-methylpyrazol-1-yl]-1-methylcyclopropane-1-carbonitrile?
cis-(1R,2S)-2-[4-[[4-(cyclopropylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-5-methylpyrazol-1-yl]-1-methylcyclopropane-1-carbonitrile has a molecular weight of 377.37 g/mol, XLogP of 3.79, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-[4-[[4-(cyclopropylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-5-methylpyrazol-1-yl]-1-methylcyclopropane-1-carbonitrile is sourced from PubChem (CID 164962715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).