N-benzyl-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5,6,7,8-tetrahydroquinazolin-4-amine

C23H23N5 — CID 90032070

IUPACN-benzyl-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5,6,7,8-tetrahydroquinazolin-4-amine
SMILESCc1nn2ccccc2c1-c1nc2c(c(NCc3ccccc3)n1)CCCC2
InChIInChI=1S/C23H23N5/c1-16-21(20-13-7-8-14-28(20)27-16)23-25-19-12-6-5-11-18(19)22(26-23)24-15-17-9-3-2-4-10-17/h2-4,7-10,13-14H,5-6,11-12,15H2,1H3,(H,24,25,26)
InChIKeyVDZMRZFBYKHSTA-UHFFFAOYSA-N
MW369.47 g/mol
LogP4.59
Rot. Bonds4

About N-benzyl-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5,6,7,8-tetrahydroquinazolin-4-amine

N-benzyl-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5,6,7,8-tetrahydroquinazolin-4-amine (PubChem CID 90032070) has the molecular formula C23H23N5 and a molecular weight of 369.47 g/mol. Its IUPAC name is N-benzyl-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5,6,7,8-tetrahydroquinazolin-4-amine.

Molecular Properties

Compound NameN-benzyl-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5,6,7,8-tetrahydroquinazolin-4-amine
PubChem CID90032070
Molecular FormulaC23H23N5
Molecular Weight369.47 g/mol
Exact Mass369.20
IUPAC NameN-benzyl-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5,6,7,8-tetrahydroquinazolin-4-amine
SMILESCc1nn2ccccc2c1-c1nc2c(c(NCc3ccccc3)n1)CCCC2
InChIInChI=1S/C23H23N5/c1-16-21(20-13-7-8-14-28(20)27-16)23-25-19-12-6-5-11-18(19)22(26-23)24-15-17-9-3-2-4-10-17/h2-4,7-10,13-14H,5-6,11-12,15H2,1H3,(H,24,25,26)
InChIKeyVDZMRZFBYKHSTA-UHFFFAOYSA-N
XLogP4.59
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5,6,7,8-tetrahydroquinazolin-4-amine?
The IUPAC name of N-benzyl-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5,6,7,8-tetrahydroquinazolin-4-amine (CID 90032070) is N-benzyl-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5,6,7,8-tetrahydroquinazolin-4-amine.
What is the SMILES notation for N-benzyl-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5,6,7,8-tetrahydroquinazolin-4-amine?
The canonical SMILES for N-benzyl-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5,6,7,8-tetrahydroquinazolin-4-amine is Cc1nn2ccccc2c1-c1nc2c(c(NCc3ccccc3)n1)CCCC2.
What is the InChIKey of N-benzyl-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5,6,7,8-tetrahydroquinazolin-4-amine?
The InChIKey is VDZMRZFBYKHSTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5/c1-16-21(20-13-7-8-14-28(20)27-16)23-25-19-12-6-5-11-18(19)22(26-23)24-15-17-9-3-2-4-10-17/h2-4,7-10,13-14H,5-6,11-12,15H2,1H3,(H,24,25,26).
What are the key properties of N-benzyl-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5,6,7,8-tetrahydroquinazolin-4-amine?
N-benzyl-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5,6,7,8-tetrahydroquinazolin-4-amine has a molecular weight of 369.47 g/mol, XLogP of 4.59, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5,6,7,8-tetrahydroquinazolin-4-amine is sourced from PubChem (CID 90032070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).