[3-[5-amino-6-(methylcarbamoyl)pyrazin-2-yl]phenyl]-(9H-fluoren-9-ylmethyl)carbamic acid

C27H23N5O3 — CID 71111152

IUPAC[3-[5-amino-6-(methylcarbamoyl)pyrazin-2-yl]phenyl]-(9H-fluoren-9-ylmethyl)carbamic acid
SMILESCNC(=O)c1nc(-c2cccc(N(CC3c4ccccc4-c4ccccc43)C(=O)O)c2)cnc1N
InChIInChI=1S/C27H23N5O3/c1-29-26(33)24-25(28)30-14-23(31-24)16-7-6-8-17(13-16)32(27(34)35)15-22-20-11-4-2-9-18(20)19-10-3-5-12-21(19)22/h2-14,22H,15H2,1H3,(H2,28,30)(H,29,33)(H,34,35)
InChIKeyLDXQBKCYMQTWTD-UHFFFAOYSA-N
MW465.51 g/mol
LogP4.38
Rot. Bonds5

About [3-[5-amino-6-(methylcarbamoyl)pyrazin-2-yl]phenyl]-(9H-fluoren-9-ylmethyl)carbamic acid

[3-[5-amino-6-(methylcarbamoyl)pyrazin-2-yl]phenyl]-(9H-fluoren-9-ylmethyl)carbamic acid (PubChem CID 71111152) has the molecular formula C27H23N5O3 and a molecular weight of 465.51 g/mol. Its IUPAC name is [3-[5-amino-6-(methylcarbamoyl)pyrazin-2-yl]phenyl]-(9H-fluoren-9-ylmethyl)carbamic acid.

Molecular Properties

Compound Name[3-[5-amino-6-(methylcarbamoyl)pyrazin-2-yl]phenyl]-(9H-fluoren-9-ylmethyl)carbamic acid
PubChem CID71111152
Molecular FormulaC27H23N5O3
Molecular Weight465.51 g/mol
Exact Mass465.18
IUPAC Name[3-[5-amino-6-(methylcarbamoyl)pyrazin-2-yl]phenyl]-(9H-fluoren-9-ylmethyl)carbamic acid
SMILESCNC(=O)c1nc(-c2cccc(N(CC3c4ccccc4-c4ccccc43)C(=O)O)c2)cnc1N
InChIInChI=1S/C27H23N5O3/c1-29-26(33)24-25(28)30-14-23(31-24)16-7-6-8-17(13-16)32(27(34)35)15-22-20-11-4-2-9-18(20)19-10-3-5-12-21(19)22/h2-14,22H,15H2,1H3,(H2,28,30)(H,29,33)(H,34,35)
InChIKeyLDXQBKCYMQTWTD-UHFFFAOYSA-N
XLogP4.38
TPSA121.44 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.51
LogP ≤ 54.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-[5-amino-6-(methylcarbamoyl)pyrazin-2-yl]phenyl]-(9H-fluoren-9-ylmethyl)carbamic acid?
The IUPAC name of [3-[5-amino-6-(methylcarbamoyl)pyrazin-2-yl]phenyl]-(9H-fluoren-9-ylmethyl)carbamic acid (CID 71111152) is [3-[5-amino-6-(methylcarbamoyl)pyrazin-2-yl]phenyl]-(9H-fluoren-9-ylmethyl)carbamic acid.
What is the SMILES notation for [3-[5-amino-6-(methylcarbamoyl)pyrazin-2-yl]phenyl]-(9H-fluoren-9-ylmethyl)carbamic acid?
The canonical SMILES for [3-[5-amino-6-(methylcarbamoyl)pyrazin-2-yl]phenyl]-(9H-fluoren-9-ylmethyl)carbamic acid is CNC(=O)c1nc(-c2cccc(N(CC3c4ccccc4-c4ccccc43)C(=O)O)c2)cnc1N.
What is the InChIKey of [3-[5-amino-6-(methylcarbamoyl)pyrazin-2-yl]phenyl]-(9H-fluoren-9-ylmethyl)carbamic acid?
The InChIKey is LDXQBKCYMQTWTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N5O3/c1-29-26(33)24-25(28)30-14-23(31-24)16-7-6-8-17(13-16)32(27(34)35)15-22-20-11-4-2-9-18(20)19-10-3-5-12-21(19)22/h2-14,22H,15H2,1H3,(H2,28,30)(H,29,33)(H,34,35).
What are the key properties of [3-[5-amino-6-(methylcarbamoyl)pyrazin-2-yl]phenyl]-(9H-fluoren-9-ylmethyl)carbamic acid?
[3-[5-amino-6-(methylcarbamoyl)pyrazin-2-yl]phenyl]-(9H-fluoren-9-ylmethyl)carbamic acid has a molecular weight of 465.51 g/mol, XLogP of 4.38, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[5-amino-6-(methylcarbamoyl)pyrazin-2-yl]phenyl]-(9H-fluoren-9-ylmethyl)carbamic acid is sourced from PubChem (CID 71111152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).