N-[(2S)-2-[(3aR)-3a,6a-dimethyl-1,3,4,6-tetrahydrofuro[3,4-c]pyrrol-5-yl]-2,3-dihydro-1H-inden-1-yl]-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine

C24H26F3N5O — CID 163236314

IUPACN-[(2S)-2-[(3aR)-3a,6a-dimethyl-1,3,4,6-tetrahydrofuro[3,4-c]pyrrol-5-yl]-2,3-dihydro-1H-inden-1-yl]-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCC12COC[C@@]1(C)CN([C@H]1Cc3ccccc3C1Nc1ncnc3[nH]c(C(F)(F)F)cc13)C2
InChIInChI=1S/C24H26F3N5O/c1-22-9-32(10-23(22,2)12-33-11-22)17-7-14-5-3-4-6-15(14)19(17)31-21-16-8-18(24(25,26)27)30-20(16)28-13-29-21/h3-6,8,13,17,19H,7,9-12H2,1-2H3,(H2,28,29,30,31)/t17-,19?,22+,23?/m0/s1
InChIKeyQRSSWICDVOGGMV-KALYMBDESA-N
MW457.50 g/mol
LogP4.41
Rot. Bonds3

About N-[(2S)-2-[(3aR)-3a,6a-dimethyl-1,3,4,6-tetrahydrofuro[3,4-c]pyrrol-5-yl]-2,3-dihydro-1H-inden-1-yl]-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine

N-[(2S)-2-[(3aR)-3a,6a-dimethyl-1,3,4,6-tetrahydrofuro[3,4-c]pyrrol-5-yl]-2,3-dihydro-1H-inden-1-yl]-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 163236314) has the molecular formula C24H26F3N5O and a molecular weight of 457.50 g/mol. Its IUPAC name is N-[(2S)-2-[(3aR)-3a,6a-dimethyl-1,3,4,6-tetrahydrofuro[3,4-c]pyrrol-5-yl]-2,3-dihydro-1H-inden-1-yl]-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(2S)-2-[(3aR)-3a,6a-dimethyl-1,3,4,6-tetrahydrofuro[3,4-c]pyrrol-5-yl]-2,3-dihydro-1H-inden-1-yl]-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID163236314
Molecular FormulaC24H26F3N5O
Molecular Weight457.50 g/mol
Exact Mass457.21
IUPAC NameN-[(2S)-2-[(3aR)-3a,6a-dimethyl-1,3,4,6-tetrahydrofuro[3,4-c]pyrrol-5-yl]-2,3-dihydro-1H-inden-1-yl]-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCC12COC[C@@]1(C)CN([C@H]1Cc3ccccc3C1Nc1ncnc3[nH]c(C(F)(F)F)cc13)C2
InChIInChI=1S/C24H26F3N5O/c1-22-9-32(10-23(22,2)12-33-11-22)17-7-14-5-3-4-6-15(14)19(17)31-21-16-8-18(24(25,26)27)30-20(16)28-13-29-21/h3-6,8,13,17,19H,7,9-12H2,1-2H3,(H2,28,29,30,31)/t17-,19?,22+,23?/m0/s1
InChIKeyQRSSWICDVOGGMV-KALYMBDESA-N
XLogP4.41
TPSA66.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.50
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(2S)-2-[(3aR)-3a,6a-dimethyl-1,3,4,6-tetrahydrofuro[3,4-c]pyrrol-5-yl]-2,3-dihydro-1H-inden-1-yl]-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-[(3aR)-3a,6a-dimethyl-1,3,4,6-tetrahydrofuro[3,4-c]pyrrol-5-yl]-2,3-dihydro-1H-inden-1-yl]-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-[(2S)-2-[(3aR)-3a,6a-dimethyl-1,3,4,6-tetrahydrofuro[3,4-c]pyrrol-5-yl]-2,3-dihydro-1H-inden-1-yl]-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine (CID 163236314) is N-[(2S)-2-[(3aR)-3a,6a-dimethyl-1,3,4,6-tetrahydrofuro[3,4-c]pyrrol-5-yl]-2,3-dihydro-1H-inden-1-yl]-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-[(2S)-2-[(3aR)-3a,6a-dimethyl-1,3,4,6-tetrahydrofuro[3,4-c]pyrrol-5-yl]-2,3-dihydro-1H-inden-1-yl]-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-[(2S)-2-[(3aR)-3a,6a-dimethyl-1,3,4,6-tetrahydrofuro[3,4-c]pyrrol-5-yl]-2,3-dihydro-1H-inden-1-yl]-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine is CC12COC[C@@]1(C)CN([C@H]1Cc3ccccc3C1Nc1ncnc3[nH]c(C(F)(F)F)cc13)C2.
What is the InChIKey of N-[(2S)-2-[(3aR)-3a,6a-dimethyl-1,3,4,6-tetrahydrofuro[3,4-c]pyrrol-5-yl]-2,3-dihydro-1H-inden-1-yl]-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is QRSSWICDVOGGMV-KALYMBDESA-N. The full InChI is InChI=1S/C24H26F3N5O/c1-22-9-32(10-23(22,2)12-33-11-22)17-7-14-5-3-4-6-15(14)19(17)31-21-16-8-18(24(25,26)27)30-20(16)28-13-29-21/h3-6,8,13,17,19H,7,9-12H2,1-2H3,(H2,28,29,30,31)/t17-,19?,22+,23?/m0/s1.
What are the key properties of N-[(2S)-2-[(3aR)-3a,6a-dimethyl-1,3,4,6-tetrahydrofuro[3,4-c]pyrrol-5-yl]-2,3-dihydro-1H-inden-1-yl]-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
N-[(2S)-2-[(3aR)-3a,6a-dimethyl-1,3,4,6-tetrahydrofuro[3,4-c]pyrrol-5-yl]-2,3-dihydro-1H-inden-1-yl]-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 457.50 g/mol, XLogP of 4.41, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-[(3aR)-3a,6a-dimethyl-1,3,4,6-tetrahydrofuro[3,4-c]pyrrol-5-yl]-2,3-dihydro-1H-inden-1-yl]-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 163236314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).