[2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-4-(pyridin-4-ylamino)pyrimidin-5-yl]oxymethanesulfonamide

C24H20FN7O3S — CID 71554316

IUPAC[2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-4-(pyridin-4-ylamino)pyrimidin-5-yl]oxymethanesulfonamide
SMILESNS(=O)(=O)COc1cnc(-c2nn(Cc3ccccc3F)c3ccccc23)nc1Nc1ccncc1
InChIInChI=1S/C24H20FN7O3S/c25-19-7-3-1-5-16(19)14-32-20-8-4-2-6-18(20)22(31-32)24-28-13-21(35-15-36(26,33)34)23(30-24)29-17-9-11-27-12-10-17/h1-13H,14-15H2,(H2,26,33,34)(H,27,28,29,30)
InChIKeyIPCRWWAALSOTIB-UHFFFAOYSA-N
MW505.54 g/mol
LogP3.44
Rot. Bonds8

About [2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-4-(pyridin-4-ylamino)pyrimidin-5-yl]oxymethanesulfonamide

[2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-4-(pyridin-4-ylamino)pyrimidin-5-yl]oxymethanesulfonamide (PubChem CID 71554316) has the molecular formula C24H20FN7O3S and a molecular weight of 505.54 g/mol. Its IUPAC name is [2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-4-(pyridin-4-ylamino)pyrimidin-5-yl]oxymethanesulfonamide.

Molecular Properties

Compound Name[2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-4-(pyridin-4-ylamino)pyrimidin-5-yl]oxymethanesulfonamide
PubChem CID71554316
Molecular FormulaC24H20FN7O3S
Molecular Weight505.54 g/mol
Exact Mass505.13
IUPAC Name[2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-4-(pyridin-4-ylamino)pyrimidin-5-yl]oxymethanesulfonamide
SMILESNS(=O)(=O)COc1cnc(-c2nn(Cc3ccccc3F)c3ccccc23)nc1Nc1ccncc1
InChIInChI=1S/C24H20FN7O3S/c25-19-7-3-1-5-16(19)14-32-20-8-4-2-6-18(20)22(31-32)24-28-13-21(35-15-36(26,33)34)23(30-24)29-17-9-11-27-12-10-17/h1-13H,14-15H2,(H2,26,33,34)(H,27,28,29,30)
InChIKeyIPCRWWAALSOTIB-UHFFFAOYSA-N
XLogP3.44
TPSA137.91 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.54
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of [2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-4-(pyridin-4-ylamino)pyrimidin-5-yl]oxymethanesulfonamide?
The IUPAC name of [2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-4-(pyridin-4-ylamino)pyrimidin-5-yl]oxymethanesulfonamide (CID 71554316) is [2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-4-(pyridin-4-ylamino)pyrimidin-5-yl]oxymethanesulfonamide.
What is the SMILES notation for [2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-4-(pyridin-4-ylamino)pyrimidin-5-yl]oxymethanesulfonamide?
The canonical SMILES for [2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-4-(pyridin-4-ylamino)pyrimidin-5-yl]oxymethanesulfonamide is NS(=O)(=O)COc1cnc(-c2nn(Cc3ccccc3F)c3ccccc23)nc1Nc1ccncc1.
What is the InChIKey of [2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-4-(pyridin-4-ylamino)pyrimidin-5-yl]oxymethanesulfonamide?
The InChIKey is IPCRWWAALSOTIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN7O3S/c25-19-7-3-1-5-16(19)14-32-20-8-4-2-6-18(20)22(31-32)24-28-13-21(35-15-36(26,33)34)23(30-24)29-17-9-11-27-12-10-17/h1-13H,14-15H2,(H2,26,33,34)(H,27,28,29,30).
What are the key properties of [2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-4-(pyridin-4-ylamino)pyrimidin-5-yl]oxymethanesulfonamide?
[2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-4-(pyridin-4-ylamino)pyrimidin-5-yl]oxymethanesulfonamide has a molecular weight of 505.54 g/mol, XLogP of 3.44, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-4-(pyridin-4-ylamino)pyrimidin-5-yl]oxymethanesulfonamide is sourced from PubChem (CID 71554316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).