2-(3-methylpyrazol-1-yl)-N-[(5R)-2-pyridin-4-yl-5,6,7,8-tetrahydroquinazolin-5-yl]acetamide

C19H20N6O — CID 95384913

IUPAC2-(3-methylpyrazol-1-yl)-N-[(5R)-2-pyridin-4-yl-5,6,7,8-tetrahydroquinazolin-5-yl]acetamide
SMILESCc1ccn(CC(=O)N[C@@H]2CCCc3nc(-c4ccncc4)ncc32)n1
InChIInChI=1S/C19H20N6O/c1-13-7-10-25(24-13)12-18(26)22-16-3-2-4-17-15(16)11-21-19(23-17)14-5-8-20-9-6-14/h5-11,16H,2-4,12H2,1H3,(H,22,26)/t16-/m1/s1
InChIKeyLGQYKXVIFRLYAA-MRXNPFEDSA-N
MW348.41 g/mol
LogP2.24
Rot. Bonds4

About 2-(3-methylpyrazol-1-yl)-N-[(5R)-2-pyridin-4-yl-5,6,7,8-tetrahydroquinazolin-5-yl]acetamide

2-(3-methylpyrazol-1-yl)-N-[(5R)-2-pyridin-4-yl-5,6,7,8-tetrahydroquinazolin-5-yl]acetamide (PubChem CID 95384913) has the molecular formula C19H20N6O and a molecular weight of 348.41 g/mol. Its IUPAC name is 2-(3-methylpyrazol-1-yl)-N-[(5R)-2-pyridin-4-yl-5,6,7,8-tetrahydroquinazolin-5-yl]acetamide.

Molecular Properties

Compound Name2-(3-methylpyrazol-1-yl)-N-[(5R)-2-pyridin-4-yl-5,6,7,8-tetrahydroquinazolin-5-yl]acetamide
PubChem CID95384913
Molecular FormulaC19H20N6O
Molecular Weight348.41 g/mol
Exact Mass348.17
IUPAC Name2-(3-methylpyrazol-1-yl)-N-[(5R)-2-pyridin-4-yl-5,6,7,8-tetrahydroquinazolin-5-yl]acetamide
SMILESCc1ccn(CC(=O)N[C@@H]2CCCc3nc(-c4ccncc4)ncc32)n1
InChIInChI=1S/C19H20N6O/c1-13-7-10-25(24-13)12-18(26)22-16-3-2-4-17-15(16)11-21-19(23-17)14-5-8-20-9-6-14/h5-11,16H,2-4,12H2,1H3,(H,22,26)/t16-/m1/s1
InChIKeyLGQYKXVIFRLYAA-MRXNPFEDSA-N
XLogP2.24
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylpyrazol-1-yl)-N-[(5R)-2-pyridin-4-yl-5,6,7,8-tetrahydroquinazolin-5-yl]acetamide?
The IUPAC name of 2-(3-methylpyrazol-1-yl)-N-[(5R)-2-pyridin-4-yl-5,6,7,8-tetrahydroquinazolin-5-yl]acetamide (CID 95384913) is 2-(3-methylpyrazol-1-yl)-N-[(5R)-2-pyridin-4-yl-5,6,7,8-tetrahydroquinazolin-5-yl]acetamide.
What is the SMILES notation for 2-(3-methylpyrazol-1-yl)-N-[(5R)-2-pyridin-4-yl-5,6,7,8-tetrahydroquinazolin-5-yl]acetamide?
The canonical SMILES for 2-(3-methylpyrazol-1-yl)-N-[(5R)-2-pyridin-4-yl-5,6,7,8-tetrahydroquinazolin-5-yl]acetamide is Cc1ccn(CC(=O)N[C@@H]2CCCc3nc(-c4ccncc4)ncc32)n1.
What is the InChIKey of 2-(3-methylpyrazol-1-yl)-N-[(5R)-2-pyridin-4-yl-5,6,7,8-tetrahydroquinazolin-5-yl]acetamide?
The InChIKey is LGQYKXVIFRLYAA-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H20N6O/c1-13-7-10-25(24-13)12-18(26)22-16-3-2-4-17-15(16)11-21-19(23-17)14-5-8-20-9-6-14/h5-11,16H,2-4,12H2,1H3,(H,22,26)/t16-/m1/s1.
What are the key properties of 2-(3-methylpyrazol-1-yl)-N-[(5R)-2-pyridin-4-yl-5,6,7,8-tetrahydroquinazolin-5-yl]acetamide?
2-(3-methylpyrazol-1-yl)-N-[(5R)-2-pyridin-4-yl-5,6,7,8-tetrahydroquinazolin-5-yl]acetamide has a molecular weight of 348.41 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylpyrazol-1-yl)-N-[(5R)-2-pyridin-4-yl-5,6,7,8-tetrahydroquinazolin-5-yl]acetamide is sourced from PubChem (CID 95384913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).