N-[4-[1-[5-(5-chloro-3-pyridinyl)-2-pyridinyl]-3-fluoro-2-oxopentan-3-yl]pyrimidin-2-yl]-N-[(4-methoxyphenyl)methyl]cyclopropanesulfonamide

C30H29ClFN5O4S — CID 161040408

IUPACN-[4-[1-[5-(5-chloro-3-pyridinyl)-2-pyridinyl]-3-fluoro-2-oxopentan-3-yl]pyrimidin-2-yl]-N-[(4-methoxyphenyl)methyl]cyclopropanesulfonamide
SMILESCCC(F)(C(=O)Cc1ccc(-c2cncc(Cl)c2)cn1)c1ccnc(N(Cc2ccc(OC)cc2)S(=O)(=O)C2CC2)n1
InChIInChI=1S/C30H29ClFN5O4S/c1-3-30(32,28(38)15-24-7-6-21(17-35-24)22-14-23(31)18-33-16-22)27-12-13-34-29(36-27)37(42(39,40)26-10-11-26)19-20-4-8-25(41-2)9-5-20/h4-9,12-14,16-18,26H,3,10-11,15,19H2,1-2H3
InChIKeyUAUOKJRBJXJDHL-UHFFFAOYSA-N
MW610.11 g/mol
LogP5.48
Rot. Bonds12

About N-[4-[1-[5-(5-chloro-3-pyridinyl)-2-pyridinyl]-3-fluoro-2-oxopentan-3-yl]pyrimidin-2-yl]-N-[(4-methoxyphenyl)methyl]cyclopropanesulfonamide

N-[4-[1-[5-(5-chloro-3-pyridinyl)-2-pyridinyl]-3-fluoro-2-oxopentan-3-yl]pyrimidin-2-yl]-N-[(4-methoxyphenyl)methyl]cyclopropanesulfonamide (PubChem CID 161040408) has the molecular formula C30H29ClFN5O4S and a molecular weight of 610.11 g/mol. Its IUPAC name is N-[4-[1-[5-(5-chloro-3-pyridinyl)-2-pyridinyl]-3-fluoro-2-oxopentan-3-yl]pyrimidin-2-yl]-N-[(4-methoxyphenyl)methyl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[4-[1-[5-(5-chloro-3-pyridinyl)-2-pyridinyl]-3-fluoro-2-oxopentan-3-yl]pyrimidin-2-yl]-N-[(4-methoxyphenyl)methyl]cyclopropanesulfonamide
PubChem CID161040408
Molecular FormulaC30H29ClFN5O4S
Molecular Weight610.11 g/mol
Exact Mass609.16
IUPAC NameN-[4-[1-[5-(5-chloro-3-pyridinyl)-2-pyridinyl]-3-fluoro-2-oxopentan-3-yl]pyrimidin-2-yl]-N-[(4-methoxyphenyl)methyl]cyclopropanesulfonamide
SMILESCCC(F)(C(=O)Cc1ccc(-c2cncc(Cl)c2)cn1)c1ccnc(N(Cc2ccc(OC)cc2)S(=O)(=O)C2CC2)n1
InChIInChI=1S/C30H29ClFN5O4S/c1-3-30(32,28(38)15-24-7-6-21(17-35-24)22-14-23(31)18-33-16-22)27-12-13-34-29(36-27)37(42(39,40)26-10-11-26)19-20-4-8-25(41-2)9-5-20/h4-9,12-14,16-18,26H,3,10-11,15,19H2,1-2H3
InChIKeyUAUOKJRBJXJDHL-UHFFFAOYSA-N
XLogP5.48
TPSA115.24 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500610.11
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze N-[4-[1-[5-(5-chloro-3-pyridinyl)-2-pyridinyl]-3-fluoro-2-oxopentan-3-yl]pyrimidin-2-yl]-N-[(4-methoxyphenyl)methyl]cyclopropanesulfonamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-[1-[5-(5-chloro-3-pyridinyl)-2-pyridinyl]-3-fluoro-2-oxopentan-3-yl]pyrimidin-2-yl]-N-[(4-methoxyphenyl)methyl]cyclopropanesulfonamide?
The IUPAC name of N-[4-[1-[5-(5-chloro-3-pyridinyl)-2-pyridinyl]-3-fluoro-2-oxopentan-3-yl]pyrimidin-2-yl]-N-[(4-methoxyphenyl)methyl]cyclopropanesulfonamide (CID 161040408) is N-[4-[1-[5-(5-chloro-3-pyridinyl)-2-pyridinyl]-3-fluoro-2-oxopentan-3-yl]pyrimidin-2-yl]-N-[(4-methoxyphenyl)methyl]cyclopropanesulfonamide.
What is the SMILES notation for N-[4-[1-[5-(5-chloro-3-pyridinyl)-2-pyridinyl]-3-fluoro-2-oxopentan-3-yl]pyrimidin-2-yl]-N-[(4-methoxyphenyl)methyl]cyclopropanesulfonamide?
The canonical SMILES for N-[4-[1-[5-(5-chloro-3-pyridinyl)-2-pyridinyl]-3-fluoro-2-oxopentan-3-yl]pyrimidin-2-yl]-N-[(4-methoxyphenyl)methyl]cyclopropanesulfonamide is CCC(F)(C(=O)Cc1ccc(-c2cncc(Cl)c2)cn1)c1ccnc(N(Cc2ccc(OC)cc2)S(=O)(=O)C2CC2)n1.
What is the InChIKey of N-[4-[1-[5-(5-chloro-3-pyridinyl)-2-pyridinyl]-3-fluoro-2-oxopentan-3-yl]pyrimidin-2-yl]-N-[(4-methoxyphenyl)methyl]cyclopropanesulfonamide?
The InChIKey is UAUOKJRBJXJDHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29ClFN5O4S/c1-3-30(32,28(38)15-24-7-6-21(17-35-24)22-14-23(31)18-33-16-22)27-12-13-34-29(36-27)37(42(39,40)26-10-11-26)19-20-4-8-25(41-2)9-5-20/h4-9,12-14,16-18,26H,3,10-11,15,19H2,1-2H3.
What are the key properties of N-[4-[1-[5-(5-chloro-3-pyridinyl)-2-pyridinyl]-3-fluoro-2-oxopentan-3-yl]pyrimidin-2-yl]-N-[(4-methoxyphenyl)methyl]cyclopropanesulfonamide?
N-[4-[1-[5-(5-chloro-3-pyridinyl)-2-pyridinyl]-3-fluoro-2-oxopentan-3-yl]pyrimidin-2-yl]-N-[(4-methoxyphenyl)methyl]cyclopropanesulfonamide has a molecular weight of 610.11 g/mol, XLogP of 5.48, 12 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-[5-(5-chloro-3-pyridinyl)-2-pyridinyl]-3-fluoro-2-oxopentan-3-yl]pyrimidin-2-yl]-N-[(4-methoxyphenyl)methyl]cyclopropanesulfonamide is sourced from PubChem (CID 161040408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).