N-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-9H-xanthene-9-carboxamide

C23H19N5O2 — CID 71805379

IUPACN-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-9H-xanthene-9-carboxamide
SMILESCc1cc(C)n(-c2cc(NC(=O)C3c4ccccc4Oc4ccccc43)ncn2)n1
InChIInChI=1S/C23H19N5O2/c1-14-11-15(2)28(27-14)21-12-20(24-13-25-21)26-23(29)22-16-7-3-5-9-18(16)30-19-10-6-4-8-17(19)22/h3-13,22H,1-2H3,(H,24,25,26,29)
InChIKeyVJFXXCGQAXSZPL-UHFFFAOYSA-N
MW397.44 g/mol
LogP4.16
Rot. Bonds3

About N-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-9H-xanthene-9-carboxamide

N-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-9H-xanthene-9-carboxamide (PubChem CID 71805379) has the molecular formula C23H19N5O2 and a molecular weight of 397.44 g/mol. Its IUPAC name is N-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-9H-xanthene-9-carboxamide.

Molecular Properties

Compound NameN-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-9H-xanthene-9-carboxamide
PubChem CID71805379
Molecular FormulaC23H19N5O2
Molecular Weight397.44 g/mol
Exact Mass397.15
IUPAC NameN-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-9H-xanthene-9-carboxamide
SMILESCc1cc(C)n(-c2cc(NC(=O)C3c4ccccc4Oc4ccccc43)ncn2)n1
InChIInChI=1S/C23H19N5O2/c1-14-11-15(2)28(27-14)21-12-20(24-13-25-21)26-23(29)22-16-7-3-5-9-18(16)30-19-10-6-4-8-17(19)22/h3-13,22H,1-2H3,(H,24,25,26,29)
InChIKeyVJFXXCGQAXSZPL-UHFFFAOYSA-N
XLogP4.16
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.44
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-9H-xanthene-9-carboxamide?
The IUPAC name of N-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-9H-xanthene-9-carboxamide (CID 71805379) is N-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-9H-xanthene-9-carboxamide.
What is the SMILES notation for N-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-9H-xanthene-9-carboxamide?
The canonical SMILES for N-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-9H-xanthene-9-carboxamide is Cc1cc(C)n(-c2cc(NC(=O)C3c4ccccc4Oc4ccccc43)ncn2)n1.
What is the InChIKey of N-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-9H-xanthene-9-carboxamide?
The InChIKey is VJFXXCGQAXSZPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N5O2/c1-14-11-15(2)28(27-14)21-12-20(24-13-25-21)26-23(29)22-16-7-3-5-9-18(16)30-19-10-6-4-8-17(19)22/h3-13,22H,1-2H3,(H,24,25,26,29).
What are the key properties of N-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-9H-xanthene-9-carboxamide?
N-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-9H-xanthene-9-carboxamide has a molecular weight of 397.44 g/mol, XLogP of 4.16, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-9H-xanthene-9-carboxamide is sourced from PubChem (CID 71805379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).