4-amino-5,5-dimethyl-2-[1-(3,3,3-trifluoropropyl)indazol-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-6-one

C18H17F3N6O — CID 46221505

IUPAC4-amino-5,5-dimethyl-2-[1-(3,3,3-trifluoropropyl)indazol-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-6-one
SMILESCC1(C)C(=O)Nc2nc(-c3nn(CCC(F)(F)F)c4ccccc34)nc(N)c21
InChIInChI=1S/C18H17F3N6O/c1-17(2)11-13(22)23-15(24-14(11)25-16(17)28)12-9-5-3-4-6-10(9)27(26-12)8-7-18(19,20)21/h3-6H,7-8H2,1-2H3,(H3,22,23,24,25,28)
InChIKeySFWAFLSRPHMCOY-UHFFFAOYSA-N
MW390.37 g/mol
LogP3.26
Rot. Bonds3

About 4-amino-5,5-dimethyl-2-[1-(3,3,3-trifluoropropyl)indazol-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-6-one

4-amino-5,5-dimethyl-2-[1-(3,3,3-trifluoropropyl)indazol-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-6-one (PubChem CID 46221505) has the molecular formula C18H17F3N6O and a molecular weight of 390.37 g/mol. Its IUPAC name is 4-amino-5,5-dimethyl-2-[1-(3,3,3-trifluoropropyl)indazol-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-6-one.

Molecular Properties

Compound Name4-amino-5,5-dimethyl-2-[1-(3,3,3-trifluoropropyl)indazol-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-6-one
PubChem CID46221505
Molecular FormulaC18H17F3N6O
Molecular Weight390.37 g/mol
Exact Mass390.14
IUPAC Name4-amino-5,5-dimethyl-2-[1-(3,3,3-trifluoropropyl)indazol-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-6-one
SMILESCC1(C)C(=O)Nc2nc(-c3nn(CCC(F)(F)F)c4ccccc34)nc(N)c21
InChIInChI=1S/C18H17F3N6O/c1-17(2)11-13(22)23-15(24-14(11)25-16(17)28)12-9-5-3-4-6-10(9)27(26-12)8-7-18(19,20)21/h3-6H,7-8H2,1-2H3,(H3,22,23,24,25,28)
InChIKeySFWAFLSRPHMCOY-UHFFFAOYSA-N
XLogP3.26
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.37
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-amino-5,5-dimethyl-2-[1-(3,3,3-trifluoropropyl)indazol-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-Amino-2-[5-chloro-3-(3,3,3-trifluoropropyl)-1H-indazol-1-YL]-5,5-dimethyl-5,7-dihydro-6H-pyrrolo[2,3-D]pyrimidin-6-one
CID 46221901
3-{1-[(2,5-difluorophenyl)acetyl]-2,3-dihydro-1H-indol-5-yl}-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 53466725
1-[5-(4-Amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-2,3-dihydroindol-1-yl]-2-[3-(trifluoromethyl)phenyl]ethanone
CID 53467390
(S)-2-(1-methyl-3-phenyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-6-ylamino)-N-(1-phenylethyl)acetamide
CID 70817059
1-(1-Methylindazol-3-yl)-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]urea
CID 152300260
2,2-dimethyl-N-[6-methyl-1-(2-methylpropyl)pyrazolo[3,4-b]quinolin-3-yl]propanamide
CID 941653
N-(1-ethyl-6-methylpyrazolo[3,4-b]quinolin-3-yl)butanamide
CID 1414936
3-[1-(2,3-Difluoro-4-methylbenzyl)-5-fluoro-6-methyl-1H-pyrazolo[3,4-b]pyridin-3-yl]-7,7-dimethyl-5,7-dihydro-6H-pyrrolo[2,3-e][1,2,4]triazin-6-one
CID 86763299
3-[1-(2,3-Difluoro-4-methylbenzyl)-6-methyl-1H-pyrazolo[3,4-b]pyridin-3-yl]-7,7-dimethyl-5,7-dihydro-6H-pyrrolo[2,3-e][1,2,4]triazin-6-one
CID 117799224
US10030027, Example 211A
CID 129242612
US10030027, Example 76B
CID 129242668
US10030027, Example 59B
CID 129242679

Frequently Asked Questions

What is the IUPAC name of 4-amino-5,5-dimethyl-2-[1-(3,3,3-trifluoropropyl)indazol-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-6-one?
The IUPAC name of 4-amino-5,5-dimethyl-2-[1-(3,3,3-trifluoropropyl)indazol-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-6-one (CID 46221505) is 4-amino-5,5-dimethyl-2-[1-(3,3,3-trifluoropropyl)indazol-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-6-one.
What is the SMILES notation for 4-amino-5,5-dimethyl-2-[1-(3,3,3-trifluoropropyl)indazol-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-6-one?
The canonical SMILES for 4-amino-5,5-dimethyl-2-[1-(3,3,3-trifluoropropyl)indazol-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-6-one is CC1(C)C(=O)Nc2nc(-c3nn(CCC(F)(F)F)c4ccccc34)nc(N)c21.
What is the InChIKey of 4-amino-5,5-dimethyl-2-[1-(3,3,3-trifluoropropyl)indazol-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-6-one?
The InChIKey is SFWAFLSRPHMCOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N6O/c1-17(2)11-13(22)23-15(24-14(11)25-16(17)28)12-9-5-3-4-6-10(9)27(26-12)8-7-18(19,20)21/h3-6H,7-8H2,1-2H3,(H3,22,23,24,25,28).
What are the key properties of 4-amino-5,5-dimethyl-2-[1-(3,3,3-trifluoropropyl)indazol-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-6-one?
4-amino-5,5-dimethyl-2-[1-(3,3,3-trifluoropropyl)indazol-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-6-one has a molecular weight of 390.37 g/mol, XLogP of 3.26, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5,5-dimethyl-2-[1-(3,3,3-trifluoropropyl)indazol-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-6-one is sourced from PubChem (CID 46221505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).