2-methyl-3-(4-methylphenyl)-N-(pyridin-2-ylmethyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-amine

C24H25N5 — CID 178068101

IUPAC2-methyl-3-(4-methylphenyl)-N-(pyridin-2-ylmethyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-amine
SMILESCc1ccc(-c2c(C)nn3c(NCc4ccccn4)c4c(nc23)CCCC4)cc1
InChIInChI=1S/C24H25N5/c1-16-10-12-18(13-11-16)22-17(2)28-29-23(26-15-19-7-5-6-14-25-19)20-8-3-4-9-21(20)27-24(22)29/h5-7,10-14,26H,3-4,8-9,15H2,1-2H3
InChIKeyAMAZGRYZAVHILH-UHFFFAOYSA-N
MW383.50 g/mol
LogP4.90
Rot. Bonds4

About 2-methyl-3-(4-methylphenyl)-N-(pyridin-2-ylmethyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-amine

2-methyl-3-(4-methylphenyl)-N-(pyridin-2-ylmethyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-amine (PubChem CID 178068101) has the molecular formula C24H25N5 and a molecular weight of 383.50 g/mol. Its IUPAC name is 2-methyl-3-(4-methylphenyl)-N-(pyridin-2-ylmethyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-amine.

Molecular Properties

Compound Name2-methyl-3-(4-methylphenyl)-N-(pyridin-2-ylmethyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-amine
PubChem CID178068101
Molecular FormulaC24H25N5
Molecular Weight383.50 g/mol
Exact Mass383.21
IUPAC Name2-methyl-3-(4-methylphenyl)-N-(pyridin-2-ylmethyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-amine
SMILESCc1ccc(-c2c(C)nn3c(NCc4ccccn4)c4c(nc23)CCCC4)cc1
InChIInChI=1S/C24H25N5/c1-16-10-12-18(13-11-16)22-17(2)28-29-23(26-15-19-7-5-6-14-25-19)20-8-3-4-9-21(20)27-24(22)29/h5-7,10-14,26H,3-4,8-9,15H2,1-2H3
InChIKeyAMAZGRYZAVHILH-UHFFFAOYSA-N
XLogP4.90
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.50
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2,5-difluorophenyl)-2-methyl-N-(pyridin-2-ylmethyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-amine
CID 178068106
2-methyl-N-(pyridin-2-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-amine
CID 50800618
3-(4-fluorophenyl)-2-methyl-N-(pyridin-4-ylmethyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-amine
CID 178068096
3-[[11-methyl-10-(4-methylphenyl)-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-yl]amino]propan-1-ol
CID 16668314
11-(4-methylphenyl)-N-(2-pyridin-2-ylethyl)-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-amine
CID 1441157
N-(4-ethoxyphenyl)-11-methyl-10-phenyl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-amine
CID 2030356
11-methyl-N-(pyridin-3-ylmethyl)-10-thiophen-2-yl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-amine
CID 16668160
4-(2-methyl-3-phenyl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-yl)morpholine
CID 665998
3-[(2-methyl-3-thiophen-2-yl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-yl)amino]propan-1-ol
CID 16668170
9-chloro-3-(3,4-dichlorophenyl)-2-methyl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline
CID 82274820
10-(4-chlorophenyl)-11-methyl-2-(trifluoromethyl)-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene
CID 1319941
N-(pyridin-2-ylmethyl)-2-(2,5,7-trimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)acetamide
CID 23603845

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(4-methylphenyl)-N-(pyridin-2-ylmethyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-amine?
The IUPAC name of 2-methyl-3-(4-methylphenyl)-N-(pyridin-2-ylmethyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-amine (CID 178068101) is 2-methyl-3-(4-methylphenyl)-N-(pyridin-2-ylmethyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-amine.
What is the SMILES notation for 2-methyl-3-(4-methylphenyl)-N-(pyridin-2-ylmethyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-amine?
The canonical SMILES for 2-methyl-3-(4-methylphenyl)-N-(pyridin-2-ylmethyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-amine is Cc1ccc(-c2c(C)nn3c(NCc4ccccn4)c4c(nc23)CCCC4)cc1.
What is the InChIKey of 2-methyl-3-(4-methylphenyl)-N-(pyridin-2-ylmethyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-amine?
The InChIKey is AMAZGRYZAVHILH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5/c1-16-10-12-18(13-11-16)22-17(2)28-29-23(26-15-19-7-5-6-14-25-19)20-8-3-4-9-21(20)27-24(22)29/h5-7,10-14,26H,3-4,8-9,15H2,1-2H3.
What are the key properties of 2-methyl-3-(4-methylphenyl)-N-(pyridin-2-ylmethyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-amine?
2-methyl-3-(4-methylphenyl)-N-(pyridin-2-ylmethyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-amine has a molecular weight of 383.50 g/mol, XLogP of 4.90, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(4-methylphenyl)-N-(pyridin-2-ylmethyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-amine is sourced from PubChem (CID 178068101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).