5-chloro-4-cyclopropyl-N-[1-(1,3-difluoropropan-2-yl)-5-methylpyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine

C16H17ClF2N6 — CID 140943281

IUPAC5-chloro-4-cyclopropyl-N-[1-(1,3-difluoropropan-2-yl)-5-methylpyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine
SMILESCc1c(Nc2nc(C3CC3)c3c(Cl)c[nH]c3n2)cnn1C(CF)CF
InChIInChI=1S/C16H17ClF2N6/c1-8-12(7-21-25(8)10(4-18)5-19)22-16-23-14(9-2-3-9)13-11(17)6-20-15(13)24-16/h6-7,9-10H,2-5H2,1H3,(H2,20,22,23,24)
InChIKeyKKUWAZALSRWKQO-UHFFFAOYSA-N
MW366.80 g/mol
LogP4.22
Rot. Bonds6

About 5-chloro-4-cyclopropyl-N-[1-(1,3-difluoropropan-2-yl)-5-methylpyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine

5-chloro-4-cyclopropyl-N-[1-(1,3-difluoropropan-2-yl)-5-methylpyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine (PubChem CID 140943281) has the molecular formula C16H17ClF2N6 and a molecular weight of 366.80 g/mol. Its IUPAC name is 5-chloro-4-cyclopropyl-N-[1-(1,3-difluoropropan-2-yl)-5-methylpyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Name5-chloro-4-cyclopropyl-N-[1-(1,3-difluoropropan-2-yl)-5-methylpyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine
PubChem CID140943281
Molecular FormulaC16H17ClF2N6
Molecular Weight366.80 g/mol
Exact Mass366.12
IUPAC Name5-chloro-4-cyclopropyl-N-[1-(1,3-difluoropropan-2-yl)-5-methylpyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine
SMILESCc1c(Nc2nc(C3CC3)c3c(Cl)c[nH]c3n2)cnn1C(CF)CF
InChIInChI=1S/C16H17ClF2N6/c1-8-12(7-21-25(8)10(4-18)5-19)22-16-23-14(9-2-3-9)13-11(17)6-20-15(13)24-16/h6-7,9-10H,2-5H2,1H3,(H2,20,22,23,24)
InChIKeyKKUWAZALSRWKQO-UHFFFAOYSA-N
XLogP4.22
TPSA71.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.80
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-chloro-4-cyclopropyl-N-[1-(1,3-difluoropropan-2-yl)-5-methylpyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine with MolForge

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Related Compounds

4-cyclopropyl-2-[[1-(difluoromethyl)-5-methylpyrazol-4-yl]amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
CID 140943535
2-[4-[(5-chloro-4-cyclopropyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]-3-methylpyrazol-1-yl]-2-methylpropanenitrile
CID 140943572
5-chloro-4-cyclopropyl-N-[3-methyl-1-[2-(1-methyl-1,2,4-triazol-3-yl)propan-2-yl]pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine
CID 140943507
4-cyclopropyl-N-[1-(2-fluoroethyl)-5-methylpyrazol-4-yl]-5-(trifluoromethyl)pyrimidin-2-amine
CID 135374556
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
4,5-dichloro-2-methyl-7H-pyrrolo[2,3-d]pyrimidine
CID 123651895
1-[3-[[5-chloro-2-[(1-ethylpyrazol-4-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]oxy]pyrrolidin-1-yl]-2-fluoroprop-2-en-1-ol
CID 166675700
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
(1S)-2-[4-[6-chloro-2-[(1-cyclopropyl-5-methylpyrazol-4-yl)amino]quinazolin-7-yl]piperidin-1-yl]-1-(3,5-difluorophenyl)ethanol
CID 167326540
4-[[2-[[1-(difluoromethyl)-5-methylpyrazol-4-yl]amino]-5-fluoropyrimidin-4-yl]oxymethyl]cyclohexan-1-ol
CID 165385742
N-(1-butyl-5-methylpyrazol-4-yl)-6-chloro-2-cyclopropylpyrimidin-4-amine
CID 133421624
2-[4-[(4-amino-5-chloro-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]pyrazol-1-yl]-N-methylacetamide
CID 147003138

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-cyclopropyl-N-[1-(1,3-difluoropropan-2-yl)-5-methylpyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine?
The IUPAC name of 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) is 5-chloro-4-cyclopropyl-N-[1-(1,3-difluoropropan-2-yl)-5-methylpyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for 5-chloro-4-cyclopropyl-N-[1-(1,3-difluoropropan-2-yl)-5-methylpyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine?
The canonical SMILES for 5-chloro-4-cyclopropyl-N-[1-(1,3-difluoropropan-2-yl)-5-methylpyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine is Cc1c(Nc2nc(C3CC3)c3c(Cl)c[nH]c3n2)cnn1C(CF)CF.
What is the InChIKey of 5-chloro-4-cyclopropyl-N-[1-(1,3-difluoropropan-2-yl)-5-methylpyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine?
The InChIKey is KKUWAZALSRWKQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClF2N6/c1-8-12(7-21-25(8)10(4-18)5-19)22-16-23-14(9-2-3-9)13-11(17)6-20-15(13)24-16/h6-7,9-10H,2-5H2,1H3,(H2,20,22,23,24).
What are the key properties of 5-chloro-4-cyclopropyl-N-[1-(1,3-difluoropropan-2-yl)-5-methylpyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine?
5-chloro-4-cyclopropyl-N-[1-(1,3-difluoropropan-2-yl)-5-methylpyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine has a molecular weight of 366.80 g/mol, XLogP of 4.22, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-cyclopropyl-N-[1-(1,3-difluoropropan-2-yl)-5-methylpyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 140943281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).