N-[(1S,5R)-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

C19H22N8O2S — CID 11995738

IUPACN-[(1S,5R)-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(N3C[C@H]4C[C@@]4(NS(=O)(=O)C4CC4)C3)nc3ncccc23)n[nH]1
InChIInChI=1S/C19H22N8O2S/c1-11-7-15(25-24-11)21-17-14-3-2-6-20-16(14)22-18(23-17)27-9-12-8-19(12,10-27)26-30(28,29)13-4-5-13/h2-3,6-7,12-13,26H,4-5,8-10H2,1H3,(H2,20,21,22,23,24,25)/t12-,19-/m1/s1
InChIKeyJIQVFJYXAPNGSK-CWTRNNRKSA-N
MW426.51 g/mol
LogP1.46
Rot. Bonds6

About N-[(1S,5R)-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-[(1S,5R)-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 11995738) has the molecular formula C19H22N8O2S and a molecular weight of 426.51 g/mol. Its IUPAC name is N-[(1S,5R)-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-[(1S,5R)-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 CID11995738
Molecular FormulaC19H22N8O2S
Molecular Weight426.51 g/mol
Exact Mass426.16
IUPAC NameN-[(1S,5R)-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(N3C[C@H]4C[C@@]4(NS(=O)(=O)C4CC4)C3)nc3ncccc23)n[nH]1
InChIInChI=1S/C19H22N8O2S/c1-11-7-15(25-24-11)21-17-14-3-2-6-20-16(14)22-18(23-17)27-9-12-8-19(12,10-27)26-30(28,29)13-4-5-13/h2-3,6-7,12-13,26H,4-5,8-10H2,1H3,(H2,20,21,22,23,24,25)/t12-,19-/m1/s1
InChIKeyJIQVFJYXAPNGSK-CWTRNNRKSA-N
XLogP1.46
TPSA128.79 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.51
LogP ≤ 51.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze N-[(1S,5R)-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

(6R)-6-methyl-3-(1-methylsulfonylpiperidin-4-yl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine
CID 118720614
N-[(3S)-1-propylsulfonylpiperidin-3-yl]-3-(1H-pyrazolo[3,4-b]pyrazin-5-yl)pyridin-2-amine
CID 58177348
N-[(3S)-1-(2-methylpropylsulfonyl)piperidin-3-yl]-3-(1H-pyrazolo[3,4-b]pyrazin-5-yl)pyridin-2-amine
CID 58177364
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
4-methyl-6-[5-[(4-methylsulfonylpiperazin-1-yl)methyl]-2-(1H-pyrazol-4-ylamino)-3-pyridinyl]-1,3,5-triazin-2-amine
CID 59548300
US11851426, Example 23
CID 156245622
US11851426, Example 31
CID 156245661
US11851426, Example 30
CID 156245735
(6R,7R)-6,7-dimethyl-3-(1-methylsulfonylpiperidin-4-yl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine
CID 118720620
6-N-[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]-1-propan-2-ylpyrazolo[4,3-c]pyridine-3,6-diamine
CID 117802322

Frequently Asked Questions

What is the IUPAC name of N-[(1S,5R)-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-[(1S,5R)-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 11995738) is N-[(1S,5R)-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-[(1S,5R)-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-[(1S,5R)-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(N3C[C@H]4C[C@@]4(NS(=O)(=O)C4CC4)C3)nc3ncccc23)n[nH]1.
What is the InChIKey of N-[(1S,5R)-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 JIQVFJYXAPNGSK-CWTRNNRKSA-N. The full InChI is InChI=1S/C19H22N8O2S/c1-11-7-15(25-24-11)21-17-14-3-2-6-20-16(14)22-18(23-17)27-9-12-8-19(12,10-27)26-30(28,29)13-4-5-13/h2-3,6-7,12-13,26H,4-5,8-10H2,1H3,(H2,20,21,22,23,24,25)/t12-,19-/m1/s1.
What are the key properties of N-[(1S,5R)-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-[(1S,5R)-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 426.51 g/mol, XLogP of 1.46, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,5R)-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 11995738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).