N-[4-[[2-[1-(4-methoxyphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanylacetyl]amino]-2-methylphenyl]propanamide

C24H24N6O3S — CID 1445514

IUPACN-[4-[[2-[1-(4-methoxyphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanylacetyl]amino]-2-methylphenyl]propanamide
SMILESCCC(=O)Nc1ccc(NC(=O)CSc2ncnc3c2cnn3-c2ccc(OC)cc2)cc1C
InChIInChI=1S/C24H24N6O3S/c1-4-21(31)29-20-10-5-16(11-15(20)2)28-22(32)13-34-24-19-12-27-30(23(19)25-14-26-24)17-6-8-18(33-3)9-7-17/h5-12,14H,4,13H2,1-3H3,(H,28,32)(H,29,31)
InChIKeyUGMDWKQPCGJRPI-UHFFFAOYSA-N
MW476.56 g/mol
LogP4.21
Rot. Bonds8

About N-[4-[[2-[1-(4-methoxyphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanylacetyl]amino]-2-methylphenyl]propanamide

N-[4-[[2-[1-(4-methoxyphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanylacetyl]amino]-2-methylphenyl]propanamide (PubChem CID 1445514) has the molecular formula C24H24N6O3S and a molecular weight of 476.56 g/mol. Its IUPAC name is N-[4-[[2-[1-(4-methoxyphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanylacetyl]amino]-2-methylphenyl]propanamide.

Molecular Properties

Compound NameN-[4-[[2-[1-(4-methoxyphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanylacetyl]amino]-2-methylphenyl]propanamide
PubChem CID1445514
Molecular FormulaC24H24N6O3S
Molecular Weight476.56 g/mol
Exact Mass476.16
IUPAC NameN-[4-[[2-[1-(4-methoxyphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanylacetyl]amino]-2-methylphenyl]propanamide
SMILESCCC(=O)Nc1ccc(NC(=O)CSc2ncnc3c2cnn3-c2ccc(OC)cc2)cc1C
InChIInChI=1S/C24H24N6O3S/c1-4-21(31)29-20-10-5-16(11-15(20)2)28-22(32)13-34-24-19-12-27-30(23(19)25-14-26-24)17-6-8-18(33-3)9-7-17/h5-12,14H,4,13H2,1-3H3,(H,28,32)(H,29,31)
InChIKeyUGMDWKQPCGJRPI-UHFFFAOYSA-N
XLogP4.21
TPSA111.03 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.56
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-(3,5-dimethylphenyl)-2-[1-(4-methoxyphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanylacetamide
CID 1445507
N-(4-ethoxyphenyl)-2-[1-(4-methoxyphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanylacetamide
CID 1445511
2-[1-(3-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanyl-N-(4-methoxyphenyl)acetamide
CID 18561852
N-(4-chloro-2-methylphenyl)-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide
CID 3810099
N-(2,4-dimethoxyphenyl)-2-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanylacetamide
CID 18561790
N-(2,4-dimethylphenyl)-2-[1-(2,4-dimethylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanylacetamide
CID 7199952
2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanyl-N-(3,4,5-trimethoxyphenyl)acetamide
CID 16507574
N-(5-chloro-2-methylphenyl)-2-[1-(4-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanylacetamide
CID 3386268
2-[1-(4-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanyl-N-(3,5-dimethylphenyl)acetamide
CID 2042918
2-[1-(4-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanyl-N-(2,5-diethoxyphenyl)acetamide
CID 1445584
N-(2,5-dimethylphenyl)-2-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanylacetamide
CID 7199741
N-(2-methoxy-4-nitrophenyl)-2-[1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanylacetamide
CID 3193783

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-[1-(4-methoxyphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanylacetyl]amino]-2-methylphenyl]propanamide?
The IUPAC name of N-[4-[[2-[1-(4-methoxyphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanylacetyl]amino]-2-methylphenyl]propanamide (CID 1445514) is N-[4-[[2-[1-(4-methoxyphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanylacetyl]amino]-2-methylphenyl]propanamide.
What is the SMILES notation for N-[4-[[2-[1-(4-methoxyphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanylacetyl]amino]-2-methylphenyl]propanamide?
The canonical SMILES for N-[4-[[2-[1-(4-methoxyphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanylacetyl]amino]-2-methylphenyl]propanamide is CCC(=O)Nc1ccc(NC(=O)CSc2ncnc3c2cnn3-c2ccc(OC)cc2)cc1C.
What is the InChIKey of N-[4-[[2-[1-(4-methoxyphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanylacetyl]amino]-2-methylphenyl]propanamide?
The InChIKey is UGMDWKQPCGJRPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6O3S/c1-4-21(31)29-20-10-5-16(11-15(20)2)28-22(32)13-34-24-19-12-27-30(23(19)25-14-26-24)17-6-8-18(33-3)9-7-17/h5-12,14H,4,13H2,1-3H3,(H,28,32)(H,29,31).
What are the key properties of N-[4-[[2-[1-(4-methoxyphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanylacetyl]amino]-2-methylphenyl]propanamide?
N-[4-[[2-[1-(4-methoxyphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanylacetyl]amino]-2-methylphenyl]propanamide has a molecular weight of 476.56 g/mol, XLogP of 4.21, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-[1-(4-methoxyphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanylacetyl]amino]-2-methylphenyl]propanamide is sourced from PubChem (CID 1445514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).