N,N-dimethyl-2-[3-[[8-methyl-9-[4-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]phenyl]-5,6-dihydropyrazolo[3,4-h]quinazolin-2-yl]amino]pyrazol-1-yl]acetamide

C32H37N11O2 — CID 71664149

IUPACN,N-dimethyl-2-[3-[[8-methyl-9-[4-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]phenyl]-5,6-dihydropyrazolo[3,4-h]quinazolin-2-yl]amino]pyrazol-1-yl]acetamide
SMILESCN(C)C(=O)Cn1ccc(Nc2ncc3c(n2)-c2c(nn(C)c2-c2ccc(-c4cnn(CCN5CCOCC5)c4)cc2)CC3)n1
InChIInChI=1S/C32H37N11O2/c1-39(2)28(44)21-43-11-10-27(38-43)35-32-33-18-24-8-9-26-29(30(24)36-32)31(40(3)37-26)23-6-4-22(5-7-23)25-19-34-42(20-25)13-12-41-14-16-45-17-15-41/h4-7,10-11,18-20H,8-9,12-17,21H2,1-3H3,(H,33,35,36,38)
InChIKeyYEPYKAAAXUCSMP-UHFFFAOYSA-N
MW607.72 g/mol
LogP2.87
Rot. Bonds9

About N,N-dimethyl-2-[3-[[8-methyl-9-[4-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]phenyl]-5,6-dihydropyrazolo[3,4-h]quinazolin-2-yl]amino]pyrazol-1-yl]acetamide

N,N-dimethyl-2-[3-[[8-methyl-9-[4-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]phenyl]-5,6-dihydropyrazolo[3,4-h]quinazolin-2-yl]amino]pyrazol-1-yl]acetamide (PubChem CID 71664149) has the molecular formula C32H37N11O2 and a molecular weight of 607.72 g/mol. Its IUPAC name is N,N-dimethyl-2-[3-[[8-methyl-9-[4-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]phenyl]-5,6-dihydropyrazolo[3,4-h]quinazolin-2-yl]amino]pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[3-[[8-methyl-9-[4-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]phenyl]-5,6-dihydropyrazolo[3,4-h]quinazolin-2-yl]amino]pyrazol-1-yl]acetamide
PubChem CID71664149
Molecular FormulaC32H37N11O2
Molecular Weight607.72 g/mol
Exact Mass607.31
IUPAC NameN,N-dimethyl-2-[3-[[8-methyl-9-[4-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]phenyl]-5,6-dihydropyrazolo[3,4-h]quinazolin-2-yl]amino]pyrazol-1-yl]acetamide
SMILESCN(C)C(=O)Cn1ccc(Nc2ncc3c(n2)-c2c(nn(C)c2-c2ccc(-c4cnn(CCN5CCOCC5)c4)cc2)CC3)n1
InChIInChI=1S/C32H37N11O2/c1-39(2)28(44)21-43-11-10-27(38-43)35-32-33-18-24-8-9-26-29(30(24)36-32)31(40(3)37-26)23-6-4-22(5-7-23)25-19-34-42(20-25)13-12-41-14-16-45-17-15-41/h4-7,10-11,18-20H,8-9,12-17,21H2,1-3H3,(H,33,35,36,38)
InChIKeyYEPYKAAAXUCSMP-UHFFFAOYSA-N
XLogP2.87
TPSA124.05 Ų
H-Bond Donors1
H-Bond Acceptors12
Rotatable Bonds9
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500607.72
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1012

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Related Compounds

N-[1-[2-[4-(2-methoxyethyl)piperazin-1-yl]ethyl]pyrazol-3-yl]-2,5-dimethyl-1-phenyl-4,5-dihydropyrazolo[4,3-f]quinazolin-7-amine
CID 168275944
4-[3-(4-N,N-Dimethylcarbamylaminophenyl)-1-ethyl-1H-pyrazol-4-yl]-2-[3-(N-morpholinylmethyl)phenyl]-1H-pyrrolo[2,3-b]-pyridine
CID 24815965
1-[4-[1-ethyl-4-[2-[(2-morpholin-4-ylethylamino)methyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]pyrazol-3-yl]phenyl]-3-phenylurea
CID 46237143
1-[4-[1-(2-morpholin-4-yl-2-oxoethyl)-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-3-yl]phenyl]-3-phenylurea
CID 46888678
1-[4-[1-ethyl-4-[2-[4-(morpholin-4-ylmethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]pyrazol-3-yl]phenyl]-3-phenylurea
CID 46888686
4-[3-(4-N-Ethylcarbamylaminophenyl)-1-ethyl-1H-pyrazol-4-yl]-2-[3-(N-morpholinylmethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine
CID 46888772
1-ethyl-3-[4-[1-ethyl-4-[2-[4-(morpholin-4-ylmethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]pyrazol-3-yl]phenyl]urea
CID 46888773
4-[3-(4-N,N-Dimethylcarbamylaminophenyl)-1-ethyl-1H-pyrazol-4-yl]-2-[4-(N-morpholinylmethyl)phenyl]-1H-pyrrolo[2,3-b]-pyridine
CID 46888774
N-[1-(2-methoxyethyl)pyrazol-3-yl]-8-methyl-9-[(2-methylphenyl)methyl]-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine
CID 56602724
1-[4-[4-[(5,8-Dimethyl-9-phenyl-5,6-dihydropyrazolo[3,4-h]quinazolin-2-yl)amino]pyrazol-1-yl]piperidin-1-yl]ethanone
CID 56602725
8-methyl-N-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrazol-3-yl]-9-phenyl-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine
CID 56602726
2-[4-[2-[3-[(8-Methyl-9-phenyl-5,6-dihydropyrazolo[3,4-h]quinazolin-2-yl)amino]pyrazol-1-yl]ethyl]piperazin-1-yl]ethanol
CID 56602782

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[3-[[8-methyl-9-[4-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]phenyl]-5,6-dihydropyrazolo[3,4-h]quinazolin-2-yl]amino]pyrazol-1-yl]acetamide?
The IUPAC name of N,N-dimethyl-2-[3-[[8-methyl-9-[4-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]phenyl]-5,6-dihydropyrazolo[3,4-h]quinazolin-2-yl]amino]pyrazol-1-yl]acetamide (CID 71664149) is N,N-dimethyl-2-[3-[[8-methyl-9-[4-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]phenyl]-5,6-dihydropyrazolo[3,4-h]quinazolin-2-yl]amino]pyrazol-1-yl]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[3-[[8-methyl-9-[4-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]phenyl]-5,6-dihydropyrazolo[3,4-h]quinazolin-2-yl]amino]pyrazol-1-yl]acetamide?
The canonical SMILES for N,N-dimethyl-2-[3-[[8-methyl-9-[4-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]phenyl]-5,6-dihydropyrazolo[3,4-h]quinazolin-2-yl]amino]pyrazol-1-yl]acetamide is CN(C)C(=O)Cn1ccc(Nc2ncc3c(n2)-c2c(nn(C)c2-c2ccc(-c4cnn(CCN5CCOCC5)c4)cc2)CC3)n1.
What is the InChIKey of N,N-dimethyl-2-[3-[[8-methyl-9-[4-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]phenyl]-5,6-dihydropyrazolo[3,4-h]quinazolin-2-yl]amino]pyrazol-1-yl]acetamide?
The InChIKey is YEPYKAAAXUCSMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H37N11O2/c1-39(2)28(44)21-43-11-10-27(38-43)35-32-33-18-24-8-9-26-29(30(24)36-32)31(40(3)37-26)23-6-4-22(5-7-23)25-19-34-42(20-25)13-12-41-14-16-45-17-15-41/h4-7,10-11,18-20H,8-9,12-17,21H2,1-3H3,(H,33,35,36,38).
What are the key properties of N,N-dimethyl-2-[3-[[8-methyl-9-[4-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]phenyl]-5,6-dihydropyrazolo[3,4-h]quinazolin-2-yl]amino]pyrazol-1-yl]acetamide?
N,N-dimethyl-2-[3-[[8-methyl-9-[4-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]phenyl]-5,6-dihydropyrazolo[3,4-h]quinazolin-2-yl]amino]pyrazol-1-yl]acetamide has a molecular weight of 607.72 g/mol, XLogP of 2.87, 9 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[3-[[8-methyl-9-[4-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]phenyl]-5,6-dihydropyrazolo[3,4-h]quinazolin-2-yl]amino]pyrazol-1-yl]acetamide is sourced from PubChem (CID 71664149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).