sodium [7-cyclopropyl-5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]carbamoyl-(1-cyclopropylpyrazol-3-yl)sulfonylazanide

C25H26N5NaO4S — CID 155660678

IUPACsodium [7-cyclopropyl-5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]carbamoyl-(1-cyclopropylpyrazol-3-yl)sulfonylazanide
SMILESCOc1cc(-c2cc(C3CC3)c3c(c2NC(=O)[N-]S(=O)(=O)c2ccn(C4CC4)n2)CCC3)ccn1.[Na+]
InChIInChI=1S/C25H27N5O4S.Na/c1-34-22-13-16(9-11-26-22)21-14-20(15-5-6-15)18-3-2-4-19(18)24(21)27-25(31)29-35(32,33)23-10-12-30(28-23)17-7-8-17;/h9-15,17H,2-8H2,1H3,(H2,26,27,29,31);/q;+1/p-1
InChIKeyFDQLBWMYHWEWCZ-UHFFFAOYSA-M
MW515.57 g/mol
LogP1.95
Rot. Bonds7

About sodium [7-cyclopropyl-5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]carbamoyl-(1-cyclopropylpyrazol-3-yl)sulfonylazanide

sodium [7-cyclopropyl-5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]carbamoyl-(1-cyclopropylpyrazol-3-yl)sulfonylazanide (PubChem CID 155660678) has the molecular formula C25H26N5NaO4S and a molecular weight of 515.57 g/mol. Its IUPAC name is sodium [7-cyclopropyl-5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]carbamoyl-(1-cyclopropylpyrazol-3-yl)sulfonylazanide.

Molecular Properties

Compound Namesodium [7-cyclopropyl-5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]carbamoyl-(1-cyclopropylpyrazol-3-yl)sulfonylazanide
PubChem CID155660678
Molecular FormulaC25H26N5NaO4S
Molecular Weight515.57 g/mol
Exact Mass515.16
IUPAC Namesodium [7-cyclopropyl-5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]carbamoyl-(1-cyclopropylpyrazol-3-yl)sulfonylazanide
SMILESCOc1cc(-c2cc(C3CC3)c3c(c2NC(=O)[N-]S(=O)(=O)c2ccn(C4CC4)n2)CCC3)ccn1.[Na+]
InChIInChI=1S/C25H27N5O4S.Na/c1-34-22-13-16(9-11-26-22)21-14-20(15-5-6-15)18-3-2-4-19(18)24(21)27-25(31)29-35(32,33)23-10-12-30(28-23)17-7-8-17;/h9-15,17H,2-8H2,1H3,(H2,26,27,29,31);/q;+1/p-1
InChIKeyFDQLBWMYHWEWCZ-UHFFFAOYSA-M
XLogP1.95
TPSA117.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500515.57
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of sodium [7-cyclopropyl-5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]carbamoyl-(1-cyclopropylpyrazol-3-yl)sulfonylazanide?
The IUPAC name of sodium [7-cyclopropyl-5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]carbamoyl-(1-cyclopropylpyrazol-3-yl)sulfonylazanide (CID 155660678) is sodium [7-cyclopropyl-5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]carbamoyl-(1-cyclopropylpyrazol-3-yl)sulfonylazanide.
What is the SMILES notation for sodium [7-cyclopropyl-5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]carbamoyl-(1-cyclopropylpyrazol-3-yl)sulfonylazanide?
The canonical SMILES for sodium [7-cyclopropyl-5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]carbamoyl-(1-cyclopropylpyrazol-3-yl)sulfonylazanide is COc1cc(-c2cc(C3CC3)c3c(c2NC(=O)[N-]S(=O)(=O)c2ccn(C4CC4)n2)CCC3)ccn1.[Na+].
What is the InChIKey of sodium [7-cyclopropyl-5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]carbamoyl-(1-cyclopropylpyrazol-3-yl)sulfonylazanide?
The InChIKey is FDQLBWMYHWEWCZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C25H27N5O4S.Na/c1-34-22-13-16(9-11-26-22)21-14-20(15-5-6-15)18-3-2-4-19(18)24(21)27-25(31)29-35(32,33)23-10-12-30(28-23)17-7-8-17;/h9-15,17H,2-8H2,1H3,(H2,26,27,29,31);/q;+1/p-1.
What are the key properties of sodium [7-cyclopropyl-5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]carbamoyl-(1-cyclopropylpyrazol-3-yl)sulfonylazanide?
sodium [7-cyclopropyl-5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]carbamoyl-(1-cyclopropylpyrazol-3-yl)sulfonylazanide has a molecular weight of 515.57 g/mol, XLogP of 1.95, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for sodium [7-cyclopropyl-5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]carbamoyl-(1-cyclopropylpyrazol-3-yl)sulfonylazanide is sourced from PubChem (CID 155660678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).