2-(methylamino)-7-N-[3-(trifluoromethoxy)cyclobutyl]pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide

C14H15F3N6O3 — CID 172615171

IUPAC2-(methylamino)-7-N-[3-(trifluoromethoxy)cyclobutyl]pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide
SMILESCNc1nn2c(C(=O)NC3CC(OC(F)(F)F)C3)ccnc2c1C(N)=O
InChIInChI=1S/C14H15F3N6O3/c1-19-11-9(10(18)24)12-20-3-2-8(23(12)22-11)13(25)21-6-4-7(5-6)26-14(15,16)17/h2-3,6-7H,4-5H2,1H3,(H2,18,24)(H,19,22)(H,21,25)
InChIKeyFRATXTAEISIGSK-UHFFFAOYSA-N
MW372.31 g/mol
LogP0.67
Rot. Bonds5

About 2-(methylamino)-7-N-[3-(trifluoromethoxy)cyclobutyl]pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide

2-(methylamino)-7-N-[3-(trifluoromethoxy)cyclobutyl]pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide (PubChem CID 172615171) has the molecular formula C14H15F3N6O3 and a molecular weight of 372.31 g/mol. Its IUPAC name is 2-(methylamino)-7-N-[3-(trifluoromethoxy)cyclobutyl]pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide.

Molecular Properties

Compound Name2-(methylamino)-7-N-[3-(trifluoromethoxy)cyclobutyl]pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide
PubChem CID172615171
Molecular FormulaC14H15F3N6O3
Molecular Weight372.31 g/mol
Exact Mass372.12
IUPAC Name2-(methylamino)-7-N-[3-(trifluoromethoxy)cyclobutyl]pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide
SMILESCNc1nn2c(C(=O)NC3CC(OC(F)(F)F)C3)ccnc2c1C(N)=O
InChIInChI=1S/C14H15F3N6O3/c1-19-11-9(10(18)24)12-20-3-2-8(23(12)22-11)13(25)21-6-4-7(5-6)26-14(15,16)17/h2-3,6-7H,4-5H2,1H3,(H2,18,24)(H,19,22)(H,21,25)
InChIKeyFRATXTAEISIGSK-UHFFFAOYSA-N
XLogP0.67
TPSA123.64 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.31
LogP ≤ 50.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(1S)-2,2-difluorocyclobutyl]-5-[[1-(3-methoxycyclobutyl)-2-oxopyridin-3-yl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 146560160
N-(2,2-difluorocyclobutyl)-5-[[1-(3-methoxycyclobutyl)-2-oxopyridin-3-yl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 146560162
N-[(1R)-2,2-difluorocyclobutyl]-5-[[1-(3-methoxycyclobutyl)-2-oxopyridin-3-yl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 146572517
N-(3-methoxypropyl)-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 134794414
N-[(2S)-2-[cyclopropyl(methyl)amino]propyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 164633631
N-[(3S)-4,4,4-trifluoro-3-hydroxy-2-methylbutan-2-yl]pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 164633780
7-N-[(4,4-difluorocyclohexyl)methyl]pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide
CID 128270443
N-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 142664033
7-N-(4,4-difluorocyclohexyl)pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide
CID 146124124
5-[[1-[(1S,2S)-2-fluorocyclopropyl]-2-oxo-3-pyridinyl]amino]-N-[(2S)-2-methoxycyclobutyl]-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 146560057
5-[[1-(3,3-Difluorocyclobutyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;methoxycyclobutane
CID 153566188
7-N-(3,3,3-trifluoropropyl)pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide
CID 166190943

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-7-N-[3-(trifluoromethoxy)cyclobutyl]pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide?
The IUPAC name of 2-(methylamino)-7-N-[3-(trifluoromethoxy)cyclobutyl]pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide (CID 172615171) is 2-(methylamino)-7-N-[3-(trifluoromethoxy)cyclobutyl]pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide.
What is the SMILES notation for 2-(methylamino)-7-N-[3-(trifluoromethoxy)cyclobutyl]pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide?
The canonical SMILES for 2-(methylamino)-7-N-[3-(trifluoromethoxy)cyclobutyl]pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide is CNc1nn2c(C(=O)NC3CC(OC(F)(F)F)C3)ccnc2c1C(N)=O.
What is the InChIKey of 2-(methylamino)-7-N-[3-(trifluoromethoxy)cyclobutyl]pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide?
The InChIKey is FRATXTAEISIGSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N6O3/c1-19-11-9(10(18)24)12-20-3-2-8(23(12)22-11)13(25)21-6-4-7(5-6)26-14(15,16)17/h2-3,6-7H,4-5H2,1H3,(H2,18,24)(H,19,22)(H,21,25).
What are the key properties of 2-(methylamino)-7-N-[3-(trifluoromethoxy)cyclobutyl]pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide?
2-(methylamino)-7-N-[3-(trifluoromethoxy)cyclobutyl]pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide has a molecular weight of 372.31 g/mol, XLogP of 0.67, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-7-N-[3-(trifluoromethoxy)cyclobutyl]pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide is sourced from PubChem (CID 172615171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).