4-[4-(6-pyrazol-1-yl-2-pyridinyl)piperazin-1-yl]-5,6,7,8-tetrahydroquinazoline

C20H23N7 — CID 163356876

IUPAC4-[4-(6-pyrazol-1-yl-2-pyridinyl)piperazin-1-yl]-5,6,7,8-tetrahydroquinazoline
SMILESc1cc(N2CCN(c3ncnc4c3CCCC4)CC2)nc(-n2cccn2)c1
InChIInChI=1S/C20H23N7/c1-2-6-17-16(5-1)20(22-15-21-17)26-13-11-25(12-14-26)18-7-3-8-19(24-18)27-10-4-9-23-27/h3-4,7-10,15H,1-2,5-6,11-14H2
InChIKeyDUOYWJWUHPLZFW-UHFFFAOYSA-N
MW361.45 g/mol
LogP2.26
Rot. Bonds3

About 4-[4-(6-pyrazol-1-yl-2-pyridinyl)piperazin-1-yl]-5,6,7,8-tetrahydroquinazoline

4-[4-(6-pyrazol-1-yl-2-pyridinyl)piperazin-1-yl]-5,6,7,8-tetrahydroquinazoline (PubChem CID 163356876) has the molecular formula C20H23N7 and a molecular weight of 361.45 g/mol. Its IUPAC name is 4-[4-(6-pyrazol-1-yl-2-pyridinyl)piperazin-1-yl]-5,6,7,8-tetrahydroquinazoline.

Molecular Properties

Compound Name4-[4-(6-pyrazol-1-yl-2-pyridinyl)piperazin-1-yl]-5,6,7,8-tetrahydroquinazoline
PubChem CID163356876
Molecular FormulaC20H23N7
Molecular Weight361.45 g/mol
Exact Mass361.20
IUPAC Name4-[4-(6-pyrazol-1-yl-2-pyridinyl)piperazin-1-yl]-5,6,7,8-tetrahydroquinazoline
SMILESc1cc(N2CCN(c3ncnc4c3CCCC4)CC2)nc(-n2cccn2)c1
InChIInChI=1S/C20H23N7/c1-2-6-17-16(5-1)20(22-15-21-17)26-13-11-25(12-14-26)18-7-3-8-19(24-18)27-10-4-9-23-27/h3-4,7-10,15H,1-2,5-6,11-14H2
InChIKeyDUOYWJWUHPLZFW-UHFFFAOYSA-N
XLogP2.26
TPSA62.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(6-pyrazol-1-yl-2-pyridinyl)piperazin-1-yl]-5,6,7,8-tetrahydroquinazoline?
The IUPAC name of 4-[4-(6-pyrazol-1-yl-2-pyridinyl)piperazin-1-yl]-5,6,7,8-tetrahydroquinazoline (CID 163356876) is 4-[4-(6-pyrazol-1-yl-2-pyridinyl)piperazin-1-yl]-5,6,7,8-tetrahydroquinazoline.
What is the SMILES notation for 4-[4-(6-pyrazol-1-yl-2-pyridinyl)piperazin-1-yl]-5,6,7,8-tetrahydroquinazoline?
The canonical SMILES for 4-[4-(6-pyrazol-1-yl-2-pyridinyl)piperazin-1-yl]-5,6,7,8-tetrahydroquinazoline is c1cc(N2CCN(c3ncnc4c3CCCC4)CC2)nc(-n2cccn2)c1.
What is the InChIKey of 4-[4-(6-pyrazol-1-yl-2-pyridinyl)piperazin-1-yl]-5,6,7,8-tetrahydroquinazoline?
The InChIKey is DUOYWJWUHPLZFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N7/c1-2-6-17-16(5-1)20(22-15-21-17)26-13-11-25(12-14-26)18-7-3-8-19(24-18)27-10-4-9-23-27/h3-4,7-10,15H,1-2,5-6,11-14H2.
What are the key properties of 4-[4-(6-pyrazol-1-yl-2-pyridinyl)piperazin-1-yl]-5,6,7,8-tetrahydroquinazoline?
4-[4-(6-pyrazol-1-yl-2-pyridinyl)piperazin-1-yl]-5,6,7,8-tetrahydroquinazoline has a molecular weight of 361.45 g/mol, XLogP of 2.26, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(6-pyrazol-1-yl-2-pyridinyl)piperazin-1-yl]-5,6,7,8-tetrahydroquinazoline is sourced from PubChem (CID 163356876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).