(9R)-4-(7H-purin-8-yl)-9H-fluorene-9-carboxamide

C19H13N5O — CID 67360207

IUPAC(9R)-4-(7H-purin-8-yl)-9H-fluorene-9-carboxamide
SMILESNC(=O)[C@@H]1c2ccccc2-c2c(-c3nc4ncncc4[nH]3)cccc21
InChIInChI=1S/C19H13N5O/c20-17(25)16-11-5-2-1-4-10(11)15-12(16)6-3-7-13(15)18-23-14-8-21-9-22-19(14)24-18/h1-9,16H,(H2,20,25)(H,21,22,23,24)/t16-/m1/s1
InChIKeyZBGFXRLWLXNWGM-MRXNPFEDSA-N
MW327.35 g/mol
LogP2.62
Rot. Bonds2

About (9R)-4-(7H-purin-8-yl)-9H-fluorene-9-carboxamide

(9R)-4-(7H-purin-8-yl)-9H-fluorene-9-carboxamide (PubChem CID 67360207) has the molecular formula C19H13N5O and a molecular weight of 327.35 g/mol. Its IUPAC name is (9R)-4-(7H-purin-8-yl)-9H-fluorene-9-carboxamide.

Molecular Properties

Compound Name(9R)-4-(7H-purin-8-yl)-9H-fluorene-9-carboxamide
PubChem CID67360207
Molecular FormulaC19H13N5O
Molecular Weight327.35 g/mol
Exact Mass327.11
IUPAC Name(9R)-4-(7H-purin-8-yl)-9H-fluorene-9-carboxamide
SMILESNC(=O)[C@@H]1c2ccccc2-c2c(-c3nc4ncncc4[nH]3)cccc21
InChIInChI=1S/C19H13N5O/c20-17(25)16-11-5-2-1-4-10(11)15-12(16)6-3-7-13(15)18-23-14-8-21-9-22-19(14)24-18/h1-9,16H,(H2,20,25)(H,21,22,23,24)/t16-/m1/s1
InChIKeyZBGFXRLWLXNWGM-MRXNPFEDSA-N
XLogP2.62
TPSA97.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.35
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (9R)-4-(7H-purin-8-yl)-9H-fluorene-9-carboxamide?
The IUPAC name of (9R)-4-(7H-purin-8-yl)-9H-fluorene-9-carboxamide (CID 67360207) is (9R)-4-(7H-purin-8-yl)-9H-fluorene-9-carboxamide.
What is the SMILES notation for (9R)-4-(7H-purin-8-yl)-9H-fluorene-9-carboxamide?
The canonical SMILES for (9R)-4-(7H-purin-8-yl)-9H-fluorene-9-carboxamide is NC(=O)[C@@H]1c2ccccc2-c2c(-c3nc4ncncc4[nH]3)cccc21.
What is the InChIKey of (9R)-4-(7H-purin-8-yl)-9H-fluorene-9-carboxamide?
The InChIKey is ZBGFXRLWLXNWGM-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H13N5O/c20-17(25)16-11-5-2-1-4-10(11)15-12(16)6-3-7-13(15)18-23-14-8-21-9-22-19(14)24-18/h1-9,16H,(H2,20,25)(H,21,22,23,24)/t16-/m1/s1.
What are the key properties of (9R)-4-(7H-purin-8-yl)-9H-fluorene-9-carboxamide?
(9R)-4-(7H-purin-8-yl)-9H-fluorene-9-carboxamide has a molecular weight of 327.35 g/mol, XLogP of 2.62, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (9R)-4-(7H-purin-8-yl)-9H-fluorene-9-carboxamide is sourced from PubChem (CID 67360207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).