2-[4-[[4-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-2-yl]amino]pyrazol-1-yl]-N-methylpropanamide

C29H30N8O3S — CID 129266759

IUPAC2-[4-[[4-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-2-yl]amino]pyrazol-1-yl]-N-methylpropanamide
SMILESCNC(=O)C(C)n1cc(Nc2nc(N[C@H]3CCc4ccccc43)c3ccn(S(=O)(=O)c4ccc(C)cc4)c3n2)cn1
InChIInChI=1S/C29H30N8O3S/c1-18-8-11-22(12-9-18)41(39,40)37-15-14-24-26(33-25-13-10-20-6-4-5-7-23(20)25)34-29(35-27(24)37)32-21-16-31-36(17-21)19(2)28(38)30-3/h4-9,11-12,14-17,19,25H,10,13H2,1-3H3,(H,30,38)(H2,32,33,34,35)/t19?,25-/m0/s1
InChIKeyBWZWZZWKSIYUNR-BIAFCPFJSA-N
MW570.68 g/mol
LogP4.32
Rot. Bonds8

About 2-[4-[[4-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-2-yl]amino]pyrazol-1-yl]-N-methylpropanamide

2-[4-[[4-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-2-yl]amino]pyrazol-1-yl]-N-methylpropanamide (PubChem CID 129266759) has the molecular formula C29H30N8O3S and a molecular weight of 570.68 g/mol. Its IUPAC name is 2-[4-[[4-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-2-yl]amino]pyrazol-1-yl]-N-methylpropanamide.

Molecular Properties

Compound Name2-[4-[[4-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-2-yl]amino]pyrazol-1-yl]-N-methylpropanamide
PubChem CID129266759
Molecular FormulaC29H30N8O3S
Molecular Weight570.68 g/mol
Exact Mass570.22
IUPAC Name2-[4-[[4-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-2-yl]amino]pyrazol-1-yl]-N-methylpropanamide
SMILESCNC(=O)C(C)n1cc(Nc2nc(N[C@H]3CCc4ccccc43)c3ccn(S(=O)(=O)c4ccc(C)cc4)c3n2)cn1
InChIInChI=1S/C29H30N8O3S/c1-18-8-11-22(12-9-18)41(39,40)37-15-14-24-26(33-25-13-10-20-6-4-5-7-23(20)25)34-29(35-27(24)37)32-21-16-31-36(17-21)19(2)28(38)30-3/h4-9,11-12,14-17,19,25H,10,13H2,1-3H3,(H,30,38)(H2,32,33,34,35)/t19?,25-/m0/s1
InChIKeyBWZWZZWKSIYUNR-BIAFCPFJSA-N
XLogP4.32
TPSA135.83 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500570.68
LogP ≤ 54.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze 2-[4-[[4-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-2-yl]amino]pyrazol-1-yl]-N-methylpropanamide with MolForge

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

Launch Full Analysis

Related Compounds

2-[4-[[4-[[(1S)-1-cyclopropylethyl]amino]-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-2-yl]amino]triazol-1-yl]-N-methylpropanamide
CID 129266735
7-(4-methylphenyl)sulfonyl-2-N-(1-propan-2-ylpyrazol-4-yl)-4-N-[(1S)-1-pyridin-2-ylethyl]pyrrolo[2,3-d]pyrimidine-2,4-diamine;sulfane
CID 160597427
4-N-[(1S)-1-cyclopropylethyl]-7-(4-methylphenyl)sulfonyl-2-N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyrrolo[2,3-d]pyrimidine-2,4-diamine
CID 129266743
4-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-N-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
CID 129266663
2-[4-(2,3-dihydro-1H-inden-1-ylamino)pyrazol-1-yl]-N-methylacetamide
CID 60932180
2-[4-[4-[[4-(1-hydroxypropan-2-ylamino)-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-2-yl]amino]phenyl]piperazin-1-yl]acetaldehyde
CID 87187844
1-[4-[4-[[4-(1H-indazol-6-ylamino)-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-2-yl]amino]phenyl]piperazin-1-yl]ethanone
CID 68579494
4-N-[(1S)-1-cyclohexylethyl]-7-(4-methylphenyl)sulfonyl-2-N-(3-methyl-2-propan-2-yl-1,5-dihydropyrazol-4-yl)pyrrolo[2,3-d]pyrimidine-2,4-diamine
CID 129275547
4-N-[(1S)-1-cyclopropylethyl]-7-(4-methylphenyl)sulfonyl-2-N-(5-methyl-1-propan-2-ylpyrazol-4-yl)pyrrolo[2,3-d]pyrimidine-2,4-diamine;4-N-[(1S)-1-cyclopropylethyl]-2-N-(5-methyl-1-propan-2-ylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine;sulfane
CID 162122496
tert-butyl 3-[[7-(4-methylphenyl)sulfonyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,3-d]pyrimidin-2-yl]amino]-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 166770031
4-[[4-[4-methanimidoyl-3-(methylamino)anilino]-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide
CID 89206649
(2S)-N-(2,3-dihydro-1H-inden-1-yl)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 55929659

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[4-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-2-yl]amino]pyrazol-1-yl]-N-methylpropanamide?
The IUPAC name of 2-[4-[[4-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-2-yl]amino]pyrazol-1-yl]-N-methylpropanamide (CID 129266759) is 2-[4-[[4-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-2-yl]amino]pyrazol-1-yl]-N-methylpropanamide.
What is the SMILES notation for 2-[4-[[4-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-2-yl]amino]pyrazol-1-yl]-N-methylpropanamide?
The canonical SMILES for 2-[4-[[4-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-2-yl]amino]pyrazol-1-yl]-N-methylpropanamide is CNC(=O)C(C)n1cc(Nc2nc(N[C@H]3CCc4ccccc43)c3ccn(S(=O)(=O)c4ccc(C)cc4)c3n2)cn1.
What is the InChIKey of 2-[4-[[4-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-2-yl]amino]pyrazol-1-yl]-N-methylpropanamide?
The InChIKey is BWZWZZWKSIYUNR-BIAFCPFJSA-N. The full InChI is InChI=1S/C29H30N8O3S/c1-18-8-11-22(12-9-18)41(39,40)37-15-14-24-26(33-25-13-10-20-6-4-5-7-23(20)25)34-29(35-27(24)37)32-21-16-31-36(17-21)19(2)28(38)30-3/h4-9,11-12,14-17,19,25H,10,13H2,1-3H3,(H,30,38)(H2,32,33,34,35)/t19?,25-/m0/s1.
What are the key properties of 2-[4-[[4-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-2-yl]amino]pyrazol-1-yl]-N-methylpropanamide?
2-[4-[[4-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-2-yl]amino]pyrazol-1-yl]-N-methylpropanamide has a molecular weight of 570.68 g/mol, XLogP of 4.32, 8 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[4-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-2-yl]amino]pyrazol-1-yl]-N-methylpropanamide is sourced from PubChem (CID 129266759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).