N-cyclopropyl-N-[4-[1-(1-methylsulfonylazetidin-3-yl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]formamide

C18H20N6O3S — CID 154633861

IUPACN-cyclopropyl-N-[4-[1-(1-methylsulfonylazetidin-3-yl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]formamide
SMILESCS(=O)(=O)N1CC(n2cc(-c3cc(N(C=O)C4CC4)nc4[nH]ccc34)cn2)C1
InChIInChI=1S/C18H20N6O3S/c1-28(26,27)22-9-14(10-22)24-8-12(7-20-24)16-6-17(23(11-25)13-2-3-13)21-18-15(16)4-5-19-18/h4-8,11,13-14H,2-3,9-10H2,1H3,(H,19,21)
InChIKeyRPTICJYAZOTWAU-UHFFFAOYSA-N
MW400.46 g/mol
LogP1.37
Rot. Bonds6

About N-cyclopropyl-N-[4-[1-(1-methylsulfonylazetidin-3-yl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]formamide

N-cyclopropyl-N-[4-[1-(1-methylsulfonylazetidin-3-yl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]formamide (PubChem CID 154633861) has the molecular formula C18H20N6O3S and a molecular weight of 400.46 g/mol. Its IUPAC name is N-cyclopropyl-N-[4-[1-(1-methylsulfonylazetidin-3-yl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]formamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[4-[1-(1-methylsulfonylazetidin-3-yl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]formamide
PubChem CID154633861
Molecular FormulaC18H20N6O3S
Molecular Weight400.46 g/mol
Exact Mass400.13
IUPAC NameN-cyclopropyl-N-[4-[1-(1-methylsulfonylazetidin-3-yl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]formamide
SMILESCS(=O)(=O)N1CC(n2cc(-c3cc(N(C=O)C4CC4)nc4[nH]ccc34)cn2)C1
InChIInChI=1S/C18H20N6O3S/c1-28(26,27)22-9-14(10-22)24-8-12(7-20-24)16-6-17(23(11-25)13-2-3-13)21-18-15(16)4-5-19-18/h4-8,11,13-14H,2-3,9-10H2,1H3,(H,19,21)
InChIKeyRPTICJYAZOTWAU-UHFFFAOYSA-N
XLogP1.37
TPSA104.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.46
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-cyclopropyl-N-[4-[4-(methylsulfamoylmethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]formamide
CID 154633515
N-[4-[1-(1-butylsulfonylazetidin-3-yl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide
CID 138561207
N-cyclopropyl-N-[4-[4-(difluoromethylsulfonylamino)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]formamide
CID 154633710
N-cyclopropyl-N-[4-[4-[2-(4-ethylsulfonylpiperazin-1-yl)-2-oxoethyl]phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]formamide
CID 154633743
N-cyclopropyl-N-[4-[4-(3-fluoropropylsulfonylamino)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]formamide
CID 154633549
N-cyclopropyl-N-[4-(8-cyclopropylsulfonyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)-1H-pyrrolo[2,3-b]pyridin-6-yl]formamide
CID 154633850
N-cyclopropyl-N-[4-[4-[2-oxo-2-(4-propylsulfonylpiperazin-1-yl)ethyl]phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]formamide
CID 154633394
N-[4-[1-[(1-cyanocyclopropyl)methylsulfonyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-N-cyclopropylformamide
CID 154633411
N-cyclopropyl-N-[4-[4-[[4-(tetrazol-1-yl)phenyl]sulfonylamino]phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]formamide
CID 154633351
N-[4-[1-(2-chloroacetyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-N-cyclopropylformamide
CID 154633516
2-[4-[6-[cyclopropyl(formyl)amino]-1H-pyrrolo[2,3-b]pyridin-4-yl]phenyl]-N-(2,2,2-trifluoroethyl)acetamide
CID 154633765
N-[4-[1-(2-cyanoacetyl)-3,4-dihydro-2H-pyridin-5-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-N-cyclopropylformamide
CID 154633846

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[4-[1-(1-methylsulfonylazetidin-3-yl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]formamide?
The IUPAC name of N-cyclopropyl-N-[4-[1-(1-methylsulfonylazetidin-3-yl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]formamide (CID 154633861) is N-cyclopropyl-N-[4-[1-(1-methylsulfonylazetidin-3-yl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]formamide.
What is the SMILES notation for N-cyclopropyl-N-[4-[1-(1-methylsulfonylazetidin-3-yl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]formamide?
The canonical SMILES for N-cyclopropyl-N-[4-[1-(1-methylsulfonylazetidin-3-yl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]formamide is CS(=O)(=O)N1CC(n2cc(-c3cc(N(C=O)C4CC4)nc4[nH]ccc34)cn2)C1.
What is the InChIKey of N-cyclopropyl-N-[4-[1-(1-methylsulfonylazetidin-3-yl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]formamide?
The InChIKey is RPTICJYAZOTWAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O3S/c1-28(26,27)22-9-14(10-22)24-8-12(7-20-24)16-6-17(23(11-25)13-2-3-13)21-18-15(16)4-5-19-18/h4-8,11,13-14H,2-3,9-10H2,1H3,(H,19,21).
What are the key properties of N-cyclopropyl-N-[4-[1-(1-methylsulfonylazetidin-3-yl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]formamide?
N-cyclopropyl-N-[4-[1-(1-methylsulfonylazetidin-3-yl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]formamide has a molecular weight of 400.46 g/mol, XLogP of 1.37, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[4-[1-(1-methylsulfonylazetidin-3-yl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]formamide is sourced from PubChem (CID 154633861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).