1,5-dimethyl-N-[(5R)-2-pyridin-4-yl-5,6,7,8-tetrahydroquinazolin-5-yl]pyrazole-3-carboxamide

C19H20N6O — CID 95384907

IUPAC1,5-dimethyl-N-[(5R)-2-pyridin-4-yl-5,6,7,8-tetrahydroquinazolin-5-yl]pyrazole-3-carboxamide
SMILESCc1cc(C(=O)N[C@@H]2CCCc3nc(-c4ccncc4)ncc32)nn1C
InChIInChI=1S/C19H20N6O/c1-12-10-17(24-25(12)2)19(26)23-16-5-3-4-15-14(16)11-21-18(22-15)13-6-8-20-9-7-13/h6-11,16H,3-5H2,1-2H3,(H,23,26)/t16-/m1/s1
InChIKeyWDLMFAARDDMAFT-MRXNPFEDSA-N
MW348.41 g/mol
LogP2.39
Rot. Bonds3

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

1,5-dimethyl-N-[(5R)-2-pyridin-4-yl-5,6,7,8-tetrahydroquinazolin-5-yl]pyrazole-3-carboxamide (PubChem CID 95384907) has the molecular formula C19H20N6O and a molecular weight of 348.41 g/mol. Its IUPAC name is 1,5-dimethyl-N-[(5R)-2-pyridin-4-yl-5,6,7,8-tetrahydroquinazolin-5-yl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1,5-dimethyl-N-[(5R)-2-pyridin-4-yl-5,6,7,8-tetrahydroquinazolin-5-yl]pyrazole-3-carboxamide
PubChem CID95384907
Molecular FormulaC19H20N6O
Molecular Weight348.41 g/mol
Exact Mass348.17
IUPAC Name1,5-dimethyl-N-[(5R)-2-pyridin-4-yl-5,6,7,8-tetrahydroquinazolin-5-yl]pyrazole-3-carboxamide
SMILESCc1cc(C(=O)N[C@@H]2CCCc3nc(-c4ccncc4)ncc32)nn1C
InChIInChI=1S/C19H20N6O/c1-12-10-17(24-25(12)2)19(26)23-16-5-3-4-15-14(16)11-21-18(22-15)13-6-8-20-9-7-13/h6-11,16H,3-5H2,1-2H3,(H,23,26)/t16-/m1/s1
InChIKeyWDLMFAARDDMAFT-MRXNPFEDSA-N
XLogP2.39
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-N-[(5R)-2-pyridin-4-yl-5,6,7,8-tetrahydroquinazolin-5-yl]pyrazole-3-carboxamide?
The IUPAC name of 1,5-dimethyl-N-[(5R)-2-pyridin-4-yl-5,6,7,8-tetrahydroquinazolin-5-yl]pyrazole-3-carboxamide (CID 95384907) is 1,5-dimethyl-N-[(5R)-2-pyridin-4-yl-5,6,7,8-tetrahydroquinazolin-5-yl]pyrazole-3-carboxamide.
What is the SMILES notation for 1,5-dimethyl-N-[(5R)-2-pyridin-4-yl-5,6,7,8-tetrahydroquinazolin-5-yl]pyrazole-3-carboxamide?
The canonical SMILES for 1,5-dimethyl-N-[(5R)-2-pyridin-4-yl-5,6,7,8-tetrahydroquinazolin-5-yl]pyrazole-3-carboxamide is Cc1cc(C(=O)N[C@@H]2CCCc3nc(-c4ccncc4)ncc32)nn1C.
What is the InChIKey of 1,5-dimethyl-N-[(5R)-2-pyridin-4-yl-5,6,7,8-tetrahydroquinazolin-5-yl]pyrazole-3-carboxamide?
The InChIKey is WDLMFAARDDMAFT-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H20N6O/c1-12-10-17(24-25(12)2)19(26)23-16-5-3-4-15-14(16)11-21-18(22-15)13-6-8-20-9-7-13/h6-11,16H,3-5H2,1-2H3,(H,23,26)/t16-/m1/s1.
What are the key properties of 1,5-dimethyl-N-[(5R)-2-pyridin-4-yl-5,6,7,8-tetrahydroquinazolin-5-yl]pyrazole-3-carboxamide?
1,5-dimethyl-N-[(5R)-2-pyridin-4-yl-5,6,7,8-tetrahydroquinazolin-5-yl]pyrazole-3-carboxamide has a molecular weight of 348.41 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-N-[(5R)-2-pyridin-4-yl-5,6,7,8-tetrahydroquinazolin-5-yl]pyrazole-3-carboxamide is sourced from PubChem (CID 95384907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).