7,7-dimethyl-2-(1H-pyrazol-4-yl)-N-[7-(trifluoromethyl)-1H-indazol-3-yl]-5H-furo[3,4-d]pyrimidin-4-amine

C19H16F3N7O — CID 127028299

IUPAC7,7-dimethyl-2-(1H-pyrazol-4-yl)-N-[7-(trifluoromethyl)-1H-indazol-3-yl]-5H-furo[3,4-d]pyrimidin-4-amine
SMILESCC1(C)OCc2c(Nc3n[nH]c4c(C(F)(F)F)cccc34)nc(-c3cn[nH]c3)nc21
InChIInChI=1S/C19H16F3N7O/c1-18(2)14-11(8-30-18)16(26-15(25-14)9-6-23-24-7-9)27-17-10-4-3-5-12(19(20,21)22)13(10)28-29-17/h3-7H,8H2,1-2H3,(H,23,24)(H2,25,26,27,28,29)
InChIKeyWRTRKQNELWWYGA-UHFFFAOYSA-N
MW415.38 g/mol
LogP4.27
Rot. Bonds3

About 7,7-dimethyl-2-(1H-pyrazol-4-yl)-N-[7-(trifluoromethyl)-1H-indazol-3-yl]-5H-furo[3,4-d]pyrimidin-4-amine

7,7-dimethyl-2-(1H-pyrazol-4-yl)-N-[7-(trifluoromethyl)-1H-indazol-3-yl]-5H-furo[3,4-d]pyrimidin-4-amine (PubChem CID 127028299) has the molecular formula C19H16F3N7O and a molecular weight of 415.38 g/mol. Its IUPAC name is 7,7-dimethyl-2-(1H-pyrazol-4-yl)-N-[7-(trifluoromethyl)-1H-indazol-3-yl]-5H-furo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name7,7-dimethyl-2-(1H-pyrazol-4-yl)-N-[7-(trifluoromethyl)-1H-indazol-3-yl]-5H-furo[3,4-d]pyrimidin-4-amine
PubChem CID127028299
Molecular FormulaC19H16F3N7O
Molecular Weight415.38 g/mol
Exact Mass415.14
IUPAC Name7,7-dimethyl-2-(1H-pyrazol-4-yl)-N-[7-(trifluoromethyl)-1H-indazol-3-yl]-5H-furo[3,4-d]pyrimidin-4-amine
SMILESCC1(C)OCc2c(Nc3n[nH]c4c(C(F)(F)F)cccc34)nc(-c3cn[nH]c3)nc21
InChIInChI=1S/C19H16F3N7O/c1-18(2)14-11(8-30-18)16(26-15(25-14)9-6-23-24-7-9)27-17-10-4-3-5-12(19(20,21)22)13(10)28-29-17/h3-7H,8H2,1-2H3,(H,23,24)(H2,25,26,27,28,29)
InChIKeyWRTRKQNELWWYGA-UHFFFAOYSA-N
XLogP4.27
TPSA104.40 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.38
LogP ≤ 54.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-2-(1H-pyrazol-4-yl)-N-[7-(trifluoromethyl)-1H-indazol-3-yl]-5H-furo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 7,7-dimethyl-2-(1H-pyrazol-4-yl)-N-[7-(trifluoromethyl)-1H-indazol-3-yl]-5H-furo[3,4-d]pyrimidin-4-amine (CID 127028299) is 7,7-dimethyl-2-(1H-pyrazol-4-yl)-N-[7-(trifluoromethyl)-1H-indazol-3-yl]-5H-furo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 7,7-dimethyl-2-(1H-pyrazol-4-yl)-N-[7-(trifluoromethyl)-1H-indazol-3-yl]-5H-furo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 7,7-dimethyl-2-(1H-pyrazol-4-yl)-N-[7-(trifluoromethyl)-1H-indazol-3-yl]-5H-furo[3,4-d]pyrimidin-4-amine is CC1(C)OCc2c(Nc3n[nH]c4c(C(F)(F)F)cccc34)nc(-c3cn[nH]c3)nc21.
What is the InChIKey of 7,7-dimethyl-2-(1H-pyrazol-4-yl)-N-[7-(trifluoromethyl)-1H-indazol-3-yl]-5H-furo[3,4-d]pyrimidin-4-amine?
The InChIKey is WRTRKQNELWWYGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N7O/c1-18(2)14-11(8-30-18)16(26-15(25-14)9-6-23-24-7-9)27-17-10-4-3-5-12(19(20,21)22)13(10)28-29-17/h3-7H,8H2,1-2H3,(H,23,24)(H2,25,26,27,28,29).
What are the key properties of 7,7-dimethyl-2-(1H-pyrazol-4-yl)-N-[7-(trifluoromethyl)-1H-indazol-3-yl]-5H-furo[3,4-d]pyrimidin-4-amine?
7,7-dimethyl-2-(1H-pyrazol-4-yl)-N-[7-(trifluoromethyl)-1H-indazol-3-yl]-5H-furo[3,4-d]pyrimidin-4-amine has a molecular weight of 415.38 g/mol, XLogP of 4.27, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-2-(1H-pyrazol-4-yl)-N-[7-(trifluoromethyl)-1H-indazol-3-yl]-5H-furo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 127028299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).