N-[1-cyclopropyl-5-(3-methoxyoxetan-3-yl)pyrazol-3-yl]sulfonyl-2-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]acetamide

C27H30N4O6S — CID 153119315

IUPACN-[1-cyclopropyl-5-(3-methoxyoxetan-3-yl)pyrazol-3-yl]sulfonyl-2-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]acetamide
SMILESCOc1cc(-c2ccc3c(c2CC(=O)NS(=O)(=O)c2cc(C4(OC)COC4)n(C4CC4)n2)CCC3)ccn1
InChIInChI=1S/C27H30N4O6S/c1-35-25-12-18(10-11-28-25)21-9-6-17-4-3-5-20(17)22(21)13-24(32)30-38(33,34)26-14-23(27(36-2)15-37-16-27)31(29-26)19-7-8-19/h6,9-12,14,19H,3-5,7-8,13,15-16H2,1-2H3,(H,30,32)
InChIKeyVUNMOQLKNACSCH-UHFFFAOYSA-N
MW538.63 g/mol
LogP2.70
Rot. Bonds9

About N-[1-cyclopropyl-5-(3-methoxyoxetan-3-yl)pyrazol-3-yl]sulfonyl-2-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]acetamide

N-[1-cyclopropyl-5-(3-methoxyoxetan-3-yl)pyrazol-3-yl]sulfonyl-2-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]acetamide (PubChem CID 153119315) has the molecular formula C27H30N4O6S and a molecular weight of 538.63 g/mol. Its IUPAC name is N-[1-cyclopropyl-5-(3-methoxyoxetan-3-yl)pyrazol-3-yl]sulfonyl-2-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]acetamide.

Molecular Properties

Compound NameN-[1-cyclopropyl-5-(3-methoxyoxetan-3-yl)pyrazol-3-yl]sulfonyl-2-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]acetamide
PubChem CID153119315
Molecular FormulaC27H30N4O6S
Molecular Weight538.63 g/mol
Exact Mass538.19
IUPAC NameN-[1-cyclopropyl-5-(3-methoxyoxetan-3-yl)pyrazol-3-yl]sulfonyl-2-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]acetamide
SMILESCOc1cc(-c2ccc3c(c2CC(=O)NS(=O)(=O)c2cc(C4(OC)COC4)n(C4CC4)n2)CCC3)ccn1
InChIInChI=1S/C27H30N4O6S/c1-35-25-12-18(10-11-28-25)21-9-6-17-4-3-5-20(17)22(21)13-24(32)30-38(33,34)26-14-23(27(36-2)15-37-16-27)31(29-26)19-7-8-19/h6,9-12,14,19H,3-5,7-8,13,15-16H2,1-2H3,(H,30,32)
InChIKeyVUNMOQLKNACSCH-UHFFFAOYSA-N
XLogP2.70
TPSA121.64 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500538.63
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[1-cyclopropyl-5-(3-methoxyoxetan-3-yl)pyrazol-3-yl]sulfonyl-2-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]acetamide?
The IUPAC name of N-[1-cyclopropyl-5-(3-methoxyoxetan-3-yl)pyrazol-3-yl]sulfonyl-2-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]acetamide (CID 153119315) is N-[1-cyclopropyl-5-(3-methoxyoxetan-3-yl)pyrazol-3-yl]sulfonyl-2-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]acetamide.
What is the SMILES notation for N-[1-cyclopropyl-5-(3-methoxyoxetan-3-yl)pyrazol-3-yl]sulfonyl-2-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]acetamide?
The canonical SMILES for N-[1-cyclopropyl-5-(3-methoxyoxetan-3-yl)pyrazol-3-yl]sulfonyl-2-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]acetamide is COc1cc(-c2ccc3c(c2CC(=O)NS(=O)(=O)c2cc(C4(OC)COC4)n(C4CC4)n2)CCC3)ccn1.
What is the InChIKey of N-[1-cyclopropyl-5-(3-methoxyoxetan-3-yl)pyrazol-3-yl]sulfonyl-2-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]acetamide?
The InChIKey is VUNMOQLKNACSCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N4O6S/c1-35-25-12-18(10-11-28-25)21-9-6-17-4-3-5-20(17)22(21)13-24(32)30-38(33,34)26-14-23(27(36-2)15-37-16-27)31(29-26)19-7-8-19/h6,9-12,14,19H,3-5,7-8,13,15-16H2,1-2H3,(H,30,32).
What are the key properties of N-[1-cyclopropyl-5-(3-methoxyoxetan-3-yl)pyrazol-3-yl]sulfonyl-2-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]acetamide?
N-[1-cyclopropyl-5-(3-methoxyoxetan-3-yl)pyrazol-3-yl]sulfonyl-2-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]acetamide has a molecular weight of 538.63 g/mol, XLogP of 2.70, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-cyclopropyl-5-(3-methoxyoxetan-3-yl)pyrazol-3-yl]sulfonyl-2-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]acetamide is sourced from PubChem (CID 153119315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).