N-[2-[2-[9-(dimethylamino)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-2-yl]piperidine-1-carbonyl]-4-methylphenyl]methanesulfonamide

C26H34N6O3S — CID 121406378

IUPACN-[2-[2-[9-(dimethylamino)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-2-yl]piperidine-1-carbonyl]-4-methylphenyl]methanesulfonamide
SMILESCc1ccc(NS(C)(=O)=O)c(C(=O)N2CCCCC2c2cc3nc4c(c(N(C)C)n3n2)CCCC4)c1
InChIInChI=1S/C26H34N6O3S/c1-17-12-13-21(29-36(4,34)35)19(15-17)26(33)31-14-8-7-11-23(31)22-16-24-27-20-10-6-5-9-18(20)25(30(2)3)32(24)28-22/h12-13,15-16,23,29H,5-11,14H2,1-4H3
InChIKeyHOBVPTQPFZMZQH-UHFFFAOYSA-N
MW510.66 g/mol
LogP3.72
Rot. Bonds5

About N-[2-[2-[9-(dimethylamino)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-2-yl]piperidine-1-carbonyl]-4-methylphenyl]methanesulfonamide

N-[2-[2-[9-(dimethylamino)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-2-yl]piperidine-1-carbonyl]-4-methylphenyl]methanesulfonamide (PubChem CID 121406378) has the molecular formula C26H34N6O3S and a molecular weight of 510.66 g/mol. Its IUPAC name is N-[2-[2-[9-(dimethylamino)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-2-yl]piperidine-1-carbonyl]-4-methylphenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[2-[9-(dimethylamino)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-2-yl]piperidine-1-carbonyl]-4-methylphenyl]methanesulfonamide
PubChem CID121406378
Molecular FormulaC26H34N6O3S
Molecular Weight510.66 g/mol
Exact Mass510.24
IUPAC NameN-[2-[2-[9-(dimethylamino)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-2-yl]piperidine-1-carbonyl]-4-methylphenyl]methanesulfonamide
SMILESCc1ccc(NS(C)(=O)=O)c(C(=O)N2CCCCC2c2cc3nc4c(c(N(C)C)n3n2)CCCC4)c1
InChIInChI=1S/C26H34N6O3S/c1-17-12-13-21(29-36(4,34)35)19(15-17)26(33)31-14-8-7-11-23(31)22-16-24-27-20-10-6-5-9-18(20)25(30(2)3)32(24)28-22/h12-13,15-16,23,29H,5-11,14H2,1-4H3
InChIKeyHOBVPTQPFZMZQH-UHFFFAOYSA-N
XLogP3.72
TPSA99.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.66
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[2-[2-[9-(dimethylamino)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-2-yl]piperidine-1-carbonyl]-4-methylphenyl]methanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[9-(dimethylamino)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-2-yl]piperidine-1-carbonyl]-4-methylphenyl]methanesulfonamide?
The IUPAC name of N-[2-[2-[9-(dimethylamino)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-2-yl]piperidine-1-carbonyl]-4-methylphenyl]methanesulfonamide (CID 121406378) is N-[2-[2-[9-(dimethylamino)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-2-yl]piperidine-1-carbonyl]-4-methylphenyl]methanesulfonamide.
What is the SMILES notation for N-[2-[2-[9-(dimethylamino)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-2-yl]piperidine-1-carbonyl]-4-methylphenyl]methanesulfonamide?
The canonical SMILES for N-[2-[2-[9-(dimethylamino)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-2-yl]piperidine-1-carbonyl]-4-methylphenyl]methanesulfonamide is Cc1ccc(NS(C)(=O)=O)c(C(=O)N2CCCCC2c2cc3nc4c(c(N(C)C)n3n2)CCCC4)c1.
What is the InChIKey of N-[2-[2-[9-(dimethylamino)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-2-yl]piperidine-1-carbonyl]-4-methylphenyl]methanesulfonamide?
The InChIKey is HOBVPTQPFZMZQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N6O3S/c1-17-12-13-21(29-36(4,34)35)19(15-17)26(33)31-14-8-7-11-23(31)22-16-24-27-20-10-6-5-9-18(20)25(30(2)3)32(24)28-22/h12-13,15-16,23,29H,5-11,14H2,1-4H3.
What are the key properties of N-[2-[2-[9-(dimethylamino)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-2-yl]piperidine-1-carbonyl]-4-methylphenyl]methanesulfonamide?
N-[2-[2-[9-(dimethylamino)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-2-yl]piperidine-1-carbonyl]-4-methylphenyl]methanesulfonamide has a molecular weight of 510.66 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[9-(dimethylamino)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-2-yl]piperidine-1-carbonyl]-4-methylphenyl]methanesulfonamide is sourced from PubChem (CID 121406378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).