N-[(5R)-1-(furan-2-ylmethyl)-2,4,6-trioxo-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]furan-2-carboxamide

C17H11F3N4O6 — CID 41025187

IUPACN-[(5R)-1-(furan-2-ylmethyl)-2,4,6-trioxo-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]furan-2-carboxamide
SMILESO=C(N[C@@]1(C(F)(F)F)C(=O)Nc2c1c(=O)[nH]c(=O)n2Cc1ccco1)c1ccco1
InChIInChI=1S/C17H11F3N4O6/c18-17(19,20)16(23-12(25)9-4-2-6-30-9)10-11(21-14(16)27)24(15(28)22-13(10)26)7-8-3-1-5-29-8/h1-6H,7H2,(H,21,27)(H,23,25)(H,22,26,28)/t16-/m1/s1
InChIKeyQOSDANLCUZPWFM-MRXNPFEDSA-N
MW424.29 g/mol
LogP0.91
Rot. Bonds4

About N-[(5R)-1-(furan-2-ylmethyl)-2,4,6-trioxo-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]furan-2-carboxamide

N-[(5R)-1-(furan-2-ylmethyl)-2,4,6-trioxo-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]furan-2-carboxamide (PubChem CID 41025187) has the molecular formula C17H11F3N4O6 and a molecular weight of 424.29 g/mol. Its IUPAC name is N-[(5R)-1-(furan-2-ylmethyl)-2,4,6-trioxo-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(5R)-1-(furan-2-ylmethyl)-2,4,6-trioxo-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]furan-2-carboxamide
PubChem CID41025187
Molecular FormulaC17H11F3N4O6
Molecular Weight424.29 g/mol
Exact Mass424.06
IUPAC NameN-[(5R)-1-(furan-2-ylmethyl)-2,4,6-trioxo-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]furan-2-carboxamide
SMILESO=C(N[C@@]1(C(F)(F)F)C(=O)Nc2c1c(=O)[nH]c(=O)n2Cc1ccco1)c1ccco1
InChIInChI=1S/C17H11F3N4O6/c18-17(19,20)16(23-12(25)9-4-2-6-30-9)10-11(21-14(16)27)24(15(28)22-13(10)26)7-8-3-1-5-29-8/h1-6H,7H2,(H,21,27)(H,23,25)(H,22,26,28)/t16-/m1/s1
InChIKeyQOSDANLCUZPWFM-MRXNPFEDSA-N
XLogP0.91
TPSA139.34 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.29
LogP ≤ 50.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(5R)-1-(furan-2-ylmethyl)-2,4,6-trioxo-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]furan-2-carboxamide?
The IUPAC name of N-[(5R)-1-(furan-2-ylmethyl)-2,4,6-trioxo-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]furan-2-carboxamide (CID 41025187) is N-[(5R)-1-(furan-2-ylmethyl)-2,4,6-trioxo-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]furan-2-carboxamide.
What is the SMILES notation for N-[(5R)-1-(furan-2-ylmethyl)-2,4,6-trioxo-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]furan-2-carboxamide?
The canonical SMILES for N-[(5R)-1-(furan-2-ylmethyl)-2,4,6-trioxo-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]furan-2-carboxamide is O=C(N[C@@]1(C(F)(F)F)C(=O)Nc2c1c(=O)[nH]c(=O)n2Cc1ccco1)c1ccco1.
What is the InChIKey of N-[(5R)-1-(furan-2-ylmethyl)-2,4,6-trioxo-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]furan-2-carboxamide?
The InChIKey is QOSDANLCUZPWFM-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H11F3N4O6/c18-17(19,20)16(23-12(25)9-4-2-6-30-9)10-11(21-14(16)27)24(15(28)22-13(10)26)7-8-3-1-5-29-8/h1-6H,7H2,(H,21,27)(H,23,25)(H,22,26,28)/t16-/m1/s1.
What are the key properties of N-[(5R)-1-(furan-2-ylmethyl)-2,4,6-trioxo-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]furan-2-carboxamide?
N-[(5R)-1-(furan-2-ylmethyl)-2,4,6-trioxo-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]furan-2-carboxamide has a molecular weight of 424.29 g/mol, XLogP of 0.91, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5R)-1-(furan-2-ylmethyl)-2,4,6-trioxo-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]furan-2-carboxamide is sourced from PubChem (CID 41025187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).