4-cyclopropyl-2-[[1-(difluoromethyl)-5-methylpyrazol-4-yl]amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile

C15H13F2N7 — CID 140943535

IUPAC4-cyclopropyl-2-[[1-(difluoromethyl)-5-methylpyrazol-4-yl]amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
SMILESCc1c(Nc2nc(C3CC3)c3c(C#N)c[nH]c3n2)cnn1C(F)F
InChIInChI=1S/C15H13F2N7/c1-7-10(6-20-24(7)14(16)17)21-15-22-12(8-2-3-8)11-9(4-18)5-19-13(11)23-15/h5-6,8,14H,2-3H2,1H3,(H2,19,21,22,23)
InChIKeyLSXSFGGUPCDTKQ-UHFFFAOYSA-N
MW329.31 g/mol
LogP3.35
Rot. Bonds4

About 4-cyclopropyl-2-[[1-(difluoromethyl)-5-methylpyrazol-4-yl]amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile

4-cyclopropyl-2-[[1-(difluoromethyl)-5-methylpyrazol-4-yl]amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile (PubChem CID 140943535) has the molecular formula C15H13F2N7 and a molecular weight of 329.31 g/mol. Its IUPAC name is 4-cyclopropyl-2-[[1-(difluoromethyl)-5-methylpyrazol-4-yl]amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-cyclopropyl-2-[[1-(difluoromethyl)-5-methylpyrazol-4-yl]amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
PubChem CID140943535
Molecular FormulaC15H13F2N7
Molecular Weight329.31 g/mol
Exact Mass329.12
IUPAC Name4-cyclopropyl-2-[[1-(difluoromethyl)-5-methylpyrazol-4-yl]amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
SMILESCc1c(Nc2nc(C3CC3)c3c(C#N)c[nH]c3n2)cnn1C(F)F
InChIInChI=1S/C15H13F2N7/c1-7-10(6-20-24(7)14(16)17)21-15-22-12(8-2-3-8)11-9(4-18)5-19-13(11)23-15/h5-6,8,14H,2-3H2,1H3,(H2,19,21,22,23)
InChIKeyLSXSFGGUPCDTKQ-UHFFFAOYSA-N
XLogP3.35
TPSA95.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.31
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-chloro-4-cyclopropyl-N-[1-(1,3-difluoropropan-2-yl)-5-methylpyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine
CID 140943281
4-cyclopropyl-2-[(6-methoxy-2-methyl-1-oxo-3H-isoindol-5-yl)amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
CID 146393796
4-ethoxy-2-[[5-methyl-1-[(3R)-1-methylpyrrolidin-3-yl]pyrazol-4-yl]amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
CID 118288974
2-[4-[(5-chloro-4-cyclopropyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]-3-methylpyrazol-1-yl]-2-methylpropanenitrile
CID 140943572
6-[(1,5-dimethylpyrazol-4-yl)amino]-4-(methylamino)-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile
CID 142436043
4-[[2-[[1-(difluoromethyl)-5-methylpyrazol-4-yl]amino]-5-fluoropyrimidin-4-yl]oxymethyl]cyclohexan-1-ol
CID 165385742
4-cyclopropyl-2-[[8-(4-morpholin-2-ylpiperidine-1-carbonyl)-2,3-dihydro-1,4-benzodioxin-5-yl]amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
CID 175174459
2-[(1-ethylpyrazol-4-yl)amino]-4-[(3R,4R)-4-fluoropiperidin-3-yl]oxy-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
CID 142615158
2-[[(1S,5R)-8-(2-cyanoethyl)-8-azabicyclo[3.2.1]octan-3-yl]amino]-4-[(5-methyl-1H-pyrazol-3-yl)amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
CID 146646015
4-(cyclopentylamino)-2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-fluoro-2-methoxyanilino]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
CID 155118917
4-N-[(1S)-1-cyclopropylethyl]-2-N-(5-methyl-1-propan-2-ylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
CID 129245006
2-[4-[(5-cyclopropyl-4-methoxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]-3-methylpyrazol-1-yl]-2-methylpropanenitrile
CID 135374392

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-2-[[1-(difluoromethyl)-5-methylpyrazol-4-yl]amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile?
The IUPAC name of 4-cyclopropyl-2-[[1-(difluoromethyl)-5-methylpyrazol-4-yl]amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile (CID 140943535) is 4-cyclopropyl-2-[[1-(difluoromethyl)-5-methylpyrazol-4-yl]amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile.
What is the SMILES notation for 4-cyclopropyl-2-[[1-(difluoromethyl)-5-methylpyrazol-4-yl]amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile?
The canonical SMILES for 4-cyclopropyl-2-[[1-(difluoromethyl)-5-methylpyrazol-4-yl]amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile is Cc1c(Nc2nc(C3CC3)c3c(C#N)c[nH]c3n2)cnn1C(F)F.
What is the InChIKey of 4-cyclopropyl-2-[[1-(difluoromethyl)-5-methylpyrazol-4-yl]amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile?
The InChIKey is LSXSFGGUPCDTKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2N7/c1-7-10(6-20-24(7)14(16)17)21-15-22-12(8-2-3-8)11-9(4-18)5-19-13(11)23-15/h5-6,8,14H,2-3H2,1H3,(H2,19,21,22,23).
What are the key properties of 4-cyclopropyl-2-[[1-(difluoromethyl)-5-methylpyrazol-4-yl]amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile?
4-cyclopropyl-2-[[1-(difluoromethyl)-5-methylpyrazol-4-yl]amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile has a molecular weight of 329.31 g/mol, XLogP of 3.35, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-2-[[1-(difluoromethyl)-5-methylpyrazol-4-yl]amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile is sourced from PubChem (CID 140943535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).