N-[5-methyl-3-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrido[2,3-d]pyrimidin-2-yl]-3-azabicyclo[3.1.0]hexan-1-yl]cyclopropanesulfonamide

C20H24N8O2S — CID 11996926

IUPACN-[5-methyl-3-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrido[2,3-d]pyrimidin-2-yl]-3-azabicyclo[3.1.0]hexan-1-yl]cyclopropanesulfonamide
SMILESCc1cc(Nc2nc(N3CC4(C)CC4(NS(=O)(=O)C4CC4)C3)nc3ncccc23)n[nH]1
InChIInChI=1S/C20H24N8O2S/c1-12-8-15(26-25-12)22-17-14-4-3-7-21-16(14)23-18(24-17)28-10-19(2)9-20(19,11-28)27-31(29,30)13-5-6-13/h3-4,7-8,13,27H,5-6,9-11H2,1-2H3,(H2,21,22,23,24,25,26)
InChIKeyDFMZLOFULODZGY-UHFFFAOYSA-N
MW440.53 g/mol
LogP1.85
Rot. Bonds6

About N-[5-methyl-3-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrido[2,3-d]pyrimidin-2-yl]-3-azabicyclo[3.1.0]hexan-1-yl]cyclopropanesulfonamide

N-[5-methyl-3-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrido[2,3-d]pyrimidin-2-yl]-3-azabicyclo[3.1.0]hexan-1-yl]cyclopropanesulfonamide (PubChem CID 11996926) has the molecular formula C20H24N8O2S and a molecular weight of 440.53 g/mol. Its IUPAC name is N-[5-methyl-3-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrido[2,3-d]pyrimidin-2-yl]-3-azabicyclo[3.1.0]hexan-1-yl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[5-methyl-3-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrido[2,3-d]pyrimidin-2-yl]-3-azabicyclo[3.1.0]hexan-1-yl]cyclopropanesulfonamide
PubChem CID11996926
Molecular FormulaC20H24N8O2S
Molecular Weight440.53 g/mol
Exact Mass440.17
IUPAC NameN-[5-methyl-3-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrido[2,3-d]pyrimidin-2-yl]-3-azabicyclo[3.1.0]hexan-1-yl]cyclopropanesulfonamide
SMILESCc1cc(Nc2nc(N3CC4(C)CC4(NS(=O)(=O)C4CC4)C3)nc3ncccc23)n[nH]1
InChIInChI=1S/C20H24N8O2S/c1-12-8-15(26-25-12)22-17-14-4-3-7-21-16(14)23-18(24-17)28-10-19(2)9-20(19,11-28)27-31(29,30)13-5-6-13/h3-4,7-8,13,27H,5-6,9-11H2,1-2H3,(H2,21,22,23,24,25,26)
InChIKeyDFMZLOFULODZGY-UHFFFAOYSA-N
XLogP1.85
TPSA128.79 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.53
LogP ≤ 51.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze N-[5-methyl-3-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrido[2,3-d]pyrimidin-2-yl]-3-azabicyclo[3.1.0]hexan-1-yl]cyclopropanesulfonamide with MolForge

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Related Compounds

4-[(6R)-6-methyl-3-(1-methylsulfonylpiperidin-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-1H-pyrazolo[3,4-b]pyridine
CID 118720616
2-methyl-N-[4-[(3-pyridin-2-yl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)amino]cyclohexyl]propane-1-sulfonamide
CID 155545701
4-methyl-6-[5-[(4-methylsulfonylpiperazin-1-yl)methyl]-2-(1H-pyrazol-5-ylamino)-3-pyridinyl]-1,3,5-triazin-2-amine
CID 59548273
US11851426, Example 23
CID 156245622
US11851426, Example 31
CID 156245661
6-N-[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]-1-propan-2-ylpyrazolo[4,3-c]pyridine-3,6-diamine
CID 117802322
US10844067, Example 22
CID 137254474
US11851426, Example 85
CID 156245550
US11851426, Example 84
CID 156245557
2,2,2-trifluoro-N-[(1S)-3-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrido[2,3-d]pyrimidin-2-yl]-3-azabicyclo[3.1.0]hexan-1-yl]acetamide
CID 57954841
N-[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]-1-propan-2-yl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrazolo[4,3-c]pyridin-6-amine
CID 123896127
2-[3-fluoro-5-[2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-pyrrolo[2,3-b]pyridin-4-yl]phenyl]ethanesulfonamide
CID 137038146

Frequently Asked Questions

What is the IUPAC name of N-[5-methyl-3-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrido[2,3-d]pyrimidin-2-yl]-3-azabicyclo[3.1.0]hexan-1-yl]cyclopropanesulfonamide?
The IUPAC name of N-[5-methyl-3-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrido[2,3-d]pyrimidin-2-yl]-3-azabicyclo[3.1.0]hexan-1-yl]cyclopropanesulfonamide (CID 11996926) is N-[5-methyl-3-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrido[2,3-d]pyrimidin-2-yl]-3-azabicyclo[3.1.0]hexan-1-yl]cyclopropanesulfonamide.
What is the SMILES notation for N-[5-methyl-3-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrido[2,3-d]pyrimidin-2-yl]-3-azabicyclo[3.1.0]hexan-1-yl]cyclopropanesulfonamide?
The canonical SMILES for N-[5-methyl-3-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrido[2,3-d]pyrimidin-2-yl]-3-azabicyclo[3.1.0]hexan-1-yl]cyclopropanesulfonamide is Cc1cc(Nc2nc(N3CC4(C)CC4(NS(=O)(=O)C4CC4)C3)nc3ncccc23)n[nH]1.
What is the InChIKey of N-[5-methyl-3-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrido[2,3-d]pyrimidin-2-yl]-3-azabicyclo[3.1.0]hexan-1-yl]cyclopropanesulfonamide?
The InChIKey is DFMZLOFULODZGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N8O2S/c1-12-8-15(26-25-12)22-17-14-4-3-7-21-16(14)23-18(24-17)28-10-19(2)9-20(19,11-28)27-31(29,30)13-5-6-13/h3-4,7-8,13,27H,5-6,9-11H2,1-2H3,(H2,21,22,23,24,25,26).
What are the key properties of N-[5-methyl-3-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrido[2,3-d]pyrimidin-2-yl]-3-azabicyclo[3.1.0]hexan-1-yl]cyclopropanesulfonamide?
N-[5-methyl-3-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrido[2,3-d]pyrimidin-2-yl]-3-azabicyclo[3.1.0]hexan-1-yl]cyclopropanesulfonamide has a molecular weight of 440.53 g/mol, XLogP of 1.85, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-methyl-3-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrido[2,3-d]pyrimidin-2-yl]-3-azabicyclo[3.1.0]hexan-1-yl]cyclopropanesulfonamide is sourced from PubChem (CID 11996926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).