1-[5-[cyclopropyl(hydroxy)methyl]-1-methylpyrazol-3-yl]sulfonyl-3-(6-methyl-5-pyrazolo[1,5-a]pyridin-5-yl-2,3-dihydro-1H-inden-4-yl)urea

C26H28N6O4S — CID 171783935

IUPAC1-[5-[cyclopropyl(hydroxy)methyl]-1-methylpyrazol-3-yl]sulfonyl-3-(6-methyl-5-pyrazolo[1,5-a]pyridin-5-yl-2,3-dihydro-1H-inden-4-yl)urea
SMILESCc1cc2c(c(NC(=O)NS(=O)(=O)c3cc(C(O)C4CC4)n(C)n3)c1-c1ccn3nccc3c1)CCC2
InChIInChI=1S/C26H28N6O4S/c1-15-12-17-4-3-5-20(17)24(23(15)18-9-11-32-19(13-18)8-10-27-32)28-26(34)30-37(35,36)22-14-21(31(2)29-22)25(33)16-6-7-16/h8-14,16,25,33H,3-7H2,1-2H3,(H2,28,30,34)
InChIKeyKOUAIPXLFQFZJQ-UHFFFAOYSA-N
MW520.62 g/mol
LogP3.49
Rot. Bonds6

About 1-[5-[cyclopropyl(hydroxy)methyl]-1-methylpyrazol-3-yl]sulfonyl-3-(6-methyl-5-pyrazolo[1,5-a]pyridin-5-yl-2,3-dihydro-1H-inden-4-yl)urea

1-[5-[cyclopropyl(hydroxy)methyl]-1-methylpyrazol-3-yl]sulfonyl-3-(6-methyl-5-pyrazolo[1,5-a]pyridin-5-yl-2,3-dihydro-1H-inden-4-yl)urea (PubChem CID 171783935) has the molecular formula C26H28N6O4S and a molecular weight of 520.62 g/mol. Its IUPAC name is 1-[5-[cyclopropyl(hydroxy)methyl]-1-methylpyrazol-3-yl]sulfonyl-3-(6-methyl-5-pyrazolo[1,5-a]pyridin-5-yl-2,3-dihydro-1H-inden-4-yl)urea.

Molecular Properties

Compound Name1-[5-[cyclopropyl(hydroxy)methyl]-1-methylpyrazol-3-yl]sulfonyl-3-(6-methyl-5-pyrazolo[1,5-a]pyridin-5-yl-2,3-dihydro-1H-inden-4-yl)urea
PubChem CID171783935
Molecular FormulaC26H28N6O4S
Molecular Weight520.62 g/mol
Exact Mass520.19
IUPAC Name1-[5-[cyclopropyl(hydroxy)methyl]-1-methylpyrazol-3-yl]sulfonyl-3-(6-methyl-5-pyrazolo[1,5-a]pyridin-5-yl-2,3-dihydro-1H-inden-4-yl)urea
SMILESCc1cc2c(c(NC(=O)NS(=O)(=O)c3cc(C(O)C4CC4)n(C)n3)c1-c1ccn3nccc3c1)CCC2
InChIInChI=1S/C26H28N6O4S/c1-15-12-17-4-3-5-20(17)24(23(15)18-9-11-32-19(13-18)8-10-27-32)28-26(34)30-37(35,36)22-14-21(31(2)29-22)25(33)16-6-7-16/h8-14,16,25,33H,3-7H2,1-2H3,(H2,28,30,34)
InChIKeyKOUAIPXLFQFZJQ-UHFFFAOYSA-N
XLogP3.49
TPSA130.62 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500520.62
LogP ≤ 53.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 1-[5-[cyclopropyl(hydroxy)methyl]-1-methylpyrazol-3-yl]sulfonyl-3-(6-methyl-5-pyrazolo[1,5-a]pyridin-5-yl-2,3-dihydro-1H-inden-4-yl)urea with MolForge

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Related Compounds

1-(1-cyclopropylpyrazol-4-yl)sulfonyl-3-(6-methyl-5-pyrazolo[1,5-a]pyridin-5-yl-2,3-dihydro-1H-inden-4-yl)urea
CID 171783927
1-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-ylsulfonyl)-3-(6-methyl-5-pyrazolo[1,5-a]pyridin-5-yl-2,3-dihydro-1H-inden-4-yl)urea
CID 169042478
CID 175825067
CID 175825067
1-[(1-cyclopropyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-7-yl)sulfinyl]-3-(6-methyl-5-pyrazolo[1,5-a]pyridin-5-yl-2,3-dihydro-1H-inden-4-yl)urea
CID 169152619
1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-[(2-hydroxy-5,6-dihydrooxaborinin-5-yl)methyl]pyrazol-3-yl]sulfonylurea
CID 170601005
1-[(4,4-dimethyl-6,7-dihydropyrazolo[5,1-c][1,4]oxazin-2-yl)sulfinyl]-3-(6-methyl-5-pyrazolo[1,5-a]pyridin-5-yl-2,3-dihydro-1H-inden-4-yl)urea
CID 169152655
sodium;[5-[1-(azetidin-1-yl)ethyl]-1-methylpyrazol-3-yl]sulfonyl-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyl)azanide;1-[5-[1-(azetidin-1-yl)ethyl]-1-methylpyrazol-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea
CID 158124353
1-[1-cyclopropyl-5-[(dimethylamino)methyl]pyrazol-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea
CID 159265974
1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[5-(1-methoxycyclopentyl)-1-methylpyrazol-3-yl]sulfonylurea
CID 151762647
1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-(oxolan-3-yl)pyrazol-3-yl]sulfonylurea
CID 142588060
1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-[(2R)-1-hydroxypropan-2-yl]pyrazol-3-yl]sulfonylurea
CID 142587969
1-(6-methyl-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)-3-methylsulfonylurea
CID 146385804

Frequently Asked Questions

What is the IUPAC name of 1-[5-[cyclopropyl(hydroxy)methyl]-1-methylpyrazol-3-yl]sulfonyl-3-(6-methyl-5-pyrazolo[1,5-a]pyridin-5-yl-2,3-dihydro-1H-inden-4-yl)urea?
The IUPAC name of 1-[5-[cyclopropyl(hydroxy)methyl]-1-methylpyrazol-3-yl]sulfonyl-3-(6-methyl-5-pyrazolo[1,5-a]pyridin-5-yl-2,3-dihydro-1H-inden-4-yl)urea (CID 171783935) is 1-[5-[cyclopropyl(hydroxy)methyl]-1-methylpyrazol-3-yl]sulfonyl-3-(6-methyl-5-pyrazolo[1,5-a]pyridin-5-yl-2,3-dihydro-1H-inden-4-yl)urea.
What is the SMILES notation for 1-[5-[cyclopropyl(hydroxy)methyl]-1-methylpyrazol-3-yl]sulfonyl-3-(6-methyl-5-pyrazolo[1,5-a]pyridin-5-yl-2,3-dihydro-1H-inden-4-yl)urea?
The canonical SMILES for 1-[5-[cyclopropyl(hydroxy)methyl]-1-methylpyrazol-3-yl]sulfonyl-3-(6-methyl-5-pyrazolo[1,5-a]pyridin-5-yl-2,3-dihydro-1H-inden-4-yl)urea is Cc1cc2c(c(NC(=O)NS(=O)(=O)c3cc(C(O)C4CC4)n(C)n3)c1-c1ccn3nccc3c1)CCC2.
What is the InChIKey of 1-[5-[cyclopropyl(hydroxy)methyl]-1-methylpyrazol-3-yl]sulfonyl-3-(6-methyl-5-pyrazolo[1,5-a]pyridin-5-yl-2,3-dihydro-1H-inden-4-yl)urea?
The InChIKey is KOUAIPXLFQFZJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N6O4S/c1-15-12-17-4-3-5-20(17)24(23(15)18-9-11-32-19(13-18)8-10-27-32)28-26(34)30-37(35,36)22-14-21(31(2)29-22)25(33)16-6-7-16/h8-14,16,25,33H,3-7H2,1-2H3,(H2,28,30,34).
What are the key properties of 1-[5-[cyclopropyl(hydroxy)methyl]-1-methylpyrazol-3-yl]sulfonyl-3-(6-methyl-5-pyrazolo[1,5-a]pyridin-5-yl-2,3-dihydro-1H-inden-4-yl)urea?
1-[5-[cyclopropyl(hydroxy)methyl]-1-methylpyrazol-3-yl]sulfonyl-3-(6-methyl-5-pyrazolo[1,5-a]pyridin-5-yl-2,3-dihydro-1H-inden-4-yl)urea has a molecular weight of 520.62 g/mol, XLogP of 3.49, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[cyclopropyl(hydroxy)methyl]-1-methylpyrazol-3-yl]sulfonyl-3-(6-methyl-5-pyrazolo[1,5-a]pyridin-5-yl-2,3-dihydro-1H-inden-4-yl)urea is sourced from PubChem (CID 171783935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).