2-(2-ethyl-5-methylpyrazol-3-yl)-8-methoxy-9H-indeno[2,1-d]pyrimidine-6-carboxamide

C19H19N5O2 — CID 167702782

IUPAC2-(2-ethyl-5-methylpyrazol-3-yl)-8-methoxy-9H-indeno[2,1-d]pyrimidine-6-carboxamide
SMILESCCn1nc(C)cc1-c1ncc2c(n1)Cc1c(OC)cc(C(N)=O)cc1-2
InChIInChI=1S/C19H19N5O2/c1-4-24-16(5-10(2)23-24)19-21-9-14-12-6-11(18(20)25)7-17(26-3)13(12)8-15(14)22-19/h5-7,9H,4,8H2,1-3H3,(H2,20,25)
InChIKeyYQMROUKZSWPRJV-UHFFFAOYSA-N
MW349.39 g/mol
LogP2.35
Rot. Bonds4

About 2-(2-ethyl-5-methylpyrazol-3-yl)-8-methoxy-9H-indeno[2,1-d]pyrimidine-6-carboxamide

2-(2-ethyl-5-methylpyrazol-3-yl)-8-methoxy-9H-indeno[2,1-d]pyrimidine-6-carboxamide (PubChem CID 167702782) has the molecular formula C19H19N5O2 and a molecular weight of 349.39 g/mol. Its IUPAC name is 2-(2-ethyl-5-methylpyrazol-3-yl)-8-methoxy-9H-indeno[2,1-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name2-(2-ethyl-5-methylpyrazol-3-yl)-8-methoxy-9H-indeno[2,1-d]pyrimidine-6-carboxamide
PubChem CID167702782
Molecular FormulaC19H19N5O2
Molecular Weight349.39 g/mol
Exact Mass349.15
IUPAC Name2-(2-ethyl-5-methylpyrazol-3-yl)-8-methoxy-9H-indeno[2,1-d]pyrimidine-6-carboxamide
SMILESCCn1nc(C)cc1-c1ncc2c(n1)Cc1c(OC)cc(C(N)=O)cc1-2
InChIInChI=1S/C19H19N5O2/c1-4-24-16(5-10(2)23-24)19-21-9-14-12-6-11(18(20)25)7-17(26-3)13(12)8-15(14)22-19/h5-7,9H,4,8H2,1-3H3,(H2,20,25)
InChIKeyYQMROUKZSWPRJV-UHFFFAOYSA-N
XLogP2.35
TPSA95.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethyl-5-methylpyrazol-3-yl)-8-methoxy-9H-indeno[2,1-d]pyrimidine-6-carboxamide?
The IUPAC name of 2-(2-ethyl-5-methylpyrazol-3-yl)-8-methoxy-9H-indeno[2,1-d]pyrimidine-6-carboxamide (CID 167702782) is 2-(2-ethyl-5-methylpyrazol-3-yl)-8-methoxy-9H-indeno[2,1-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 2-(2-ethyl-5-methylpyrazol-3-yl)-8-methoxy-9H-indeno[2,1-d]pyrimidine-6-carboxamide?
The canonical SMILES for 2-(2-ethyl-5-methylpyrazol-3-yl)-8-methoxy-9H-indeno[2,1-d]pyrimidine-6-carboxamide is CCn1nc(C)cc1-c1ncc2c(n1)Cc1c(OC)cc(C(N)=O)cc1-2.
What is the InChIKey of 2-(2-ethyl-5-methylpyrazol-3-yl)-8-methoxy-9H-indeno[2,1-d]pyrimidine-6-carboxamide?
The InChIKey is YQMROUKZSWPRJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O2/c1-4-24-16(5-10(2)23-24)19-21-9-14-12-6-11(18(20)25)7-17(26-3)13(12)8-15(14)22-19/h5-7,9H,4,8H2,1-3H3,(H2,20,25).
What are the key properties of 2-(2-ethyl-5-methylpyrazol-3-yl)-8-methoxy-9H-indeno[2,1-d]pyrimidine-6-carboxamide?
2-(2-ethyl-5-methylpyrazol-3-yl)-8-methoxy-9H-indeno[2,1-d]pyrimidine-6-carboxamide has a molecular weight of 349.39 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethyl-5-methylpyrazol-3-yl)-8-methoxy-9H-indeno[2,1-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 167702782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).