(5S,6R)-6-[4-fluoro-3-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methylcarbamoyl]phenyl]-N-(1H-indazol-5-yl)-4-methyl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxamide

C25H23FN8O5 — CID 133053548

IUPAC(5S,6R)-6-[4-fluoro-3-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methylcarbamoyl]phenyl]-N-(1H-indazol-5-yl)-4-methyl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxamide
SMILESCOCc1noc(CNC(=O)c2cc([C@@H]3NC(=O)N=C(C)[C@H]3C(=O)Nc3ccc4[nH]ncc4c3)ccc2F)n1
InChIInChI=1S/C25H23FN8O5/c1-12-21(24(36)30-15-4-6-18-14(7-15)9-28-33-18)22(32-25(37)29-12)13-3-5-17(26)16(8-13)23(35)27-10-20-31-19(11-38-2)34-39-20/h3-9,21-22H,10-11H2,1-2H3,(H,27,35)(H,28,33)(H,30,36)(H,32,37)/t21-,22+/m1/s1
InChIKeyRJNRNVDPLHFHAW-YADHBBJMSA-N
MW534.51 g/mol
LogP2.64
Rot. Bonds8

About (5S,6R)-6-[4-fluoro-3-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methylcarbamoyl]phenyl]-N-(1H-indazol-5-yl)-4-methyl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxamide

(5S,6R)-6-[4-fluoro-3-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methylcarbamoyl]phenyl]-N-(1H-indazol-5-yl)-4-methyl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxamide (PubChem CID 133053548) has the molecular formula C25H23FN8O5 and a molecular weight of 534.51 g/mol. Its IUPAC name is (5S,6R)-6-[4-fluoro-3-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methylcarbamoyl]phenyl]-N-(1H-indazol-5-yl)-4-methyl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound Name(5S,6R)-6-[4-fluoro-3-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methylcarbamoyl]phenyl]-N-(1H-indazol-5-yl)-4-methyl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxamide
PubChem CID133053548
Molecular FormulaC25H23FN8O5
Molecular Weight534.51 g/mol
Exact Mass534.18
IUPAC Name(5S,6R)-6-[4-fluoro-3-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methylcarbamoyl]phenyl]-N-(1H-indazol-5-yl)-4-methyl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxamide
SMILESCOCc1noc(CNC(=O)c2cc([C@@H]3NC(=O)N=C(C)[C@H]3C(=O)Nc3ccc4[nH]ncc4c3)ccc2F)n1
InChIInChI=1S/C25H23FN8O5/c1-12-21(24(36)30-15-4-6-18-14(7-15)9-28-33-18)22(32-25(37)29-12)13-3-5-17(26)16(8-13)23(35)27-10-20-31-19(11-38-2)34-39-20/h3-9,21-22H,10-11H2,1-2H3,(H,27,35)(H,28,33)(H,30,36)(H,32,37)/t21-,22+/m1/s1
InChIKeyRJNRNVDPLHFHAW-YADHBBJMSA-N
XLogP2.64
TPSA176.49 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500534.51
LogP ≤ 52.64
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze (5S,6R)-6-[4-fluoro-3-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methylcarbamoyl]phenyl]-N-(1H-indazol-5-yl)-4-methyl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxamide with MolForge

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Related Compounds

US10023564, Example 24
CID 118888934
US10023564, Example 22
CID 118888937
4-[4-fluoro-3-(imidazo[1,2-a]pyridin-2-ylmethylcarbamoyl)phenyl]-N-(1H-indazol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 145969519
4-[4-fluoro-3-[2-[methyl-[(5-methyl-1H-imidazol-2-yl)methyl]amino]-2-oxoethyl]phenyl]-N-(1H-indazol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 118888925
US10618897, Example 49
CID 130301986
(4R,5R,6S)-4-[4-fluoro-3-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methylcarbamoyl]phenyl]-N-(1H-indazol-5-yl)-6-methyl-2-oxo-1,3-diazinane-5-carboxamide
CID 137349258
3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-8-(1~{H}-indazol-5-ylcarbonyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 124185620
4-[3-[(3-ethoxy-1,2,4-oxadiazol-5-yl)methylcarbamoyl]-4-fluorophenyl]-N-(1H-indazol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 172447968
N-[2-[4-(azetidine-1-carbonyl)phenyl]ethyl]-3-(1H-indazol-6-yl)-1,2,4-oxadiazole-5-carboxamide
CID 172463766
3-(2,4-difluorophenyl)-2-(2-hydroxyethyl)-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]indazole-6-carboxamide
CID 66661364
4-methyl-2-[[1-(3-phenyl-1,2,4-oxadiazole-5-carbonyl)piperidin-4-yl]methyl]-N-(2,2,2-trifluoroethyl)indazole-5-carboxamide
CID 89610267
6-[3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methylcarbamoyl]-4-fluorophenyl]-N-(1H-indazol-5-yl)-4-methyl-2-oxo-1,6-dihydropyrimidine-3-carboxamide
CID 118875297

Frequently Asked Questions

What is the IUPAC name of (5S,6R)-6-[4-fluoro-3-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methylcarbamoyl]phenyl]-N-(1H-indazol-5-yl)-4-methyl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxamide?
The IUPAC name of (5S,6R)-6-[4-fluoro-3-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methylcarbamoyl]phenyl]-N-(1H-indazol-5-yl)-4-methyl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxamide (CID 133053548) is (5S,6R)-6-[4-fluoro-3-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methylcarbamoyl]phenyl]-N-(1H-indazol-5-yl)-4-methyl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for (5S,6R)-6-[4-fluoro-3-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methylcarbamoyl]phenyl]-N-(1H-indazol-5-yl)-4-methyl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxamide?
The canonical SMILES for (5S,6R)-6-[4-fluoro-3-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methylcarbamoyl]phenyl]-N-(1H-indazol-5-yl)-4-methyl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxamide is COCc1noc(CNC(=O)c2cc([C@@H]3NC(=O)N=C(C)[C@H]3C(=O)Nc3ccc4[nH]ncc4c3)ccc2F)n1.
What is the InChIKey of (5S,6R)-6-[4-fluoro-3-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methylcarbamoyl]phenyl]-N-(1H-indazol-5-yl)-4-methyl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxamide?
The InChIKey is RJNRNVDPLHFHAW-YADHBBJMSA-N. The full InChI is InChI=1S/C25H23FN8O5/c1-12-21(24(36)30-15-4-6-18-14(7-15)9-28-33-18)22(32-25(37)29-12)13-3-5-17(26)16(8-13)23(35)27-10-20-31-19(11-38-2)34-39-20/h3-9,21-22H,10-11H2,1-2H3,(H,27,35)(H,28,33)(H,30,36)(H,32,37)/t21-,22+/m1/s1.
What are the key properties of (5S,6R)-6-[4-fluoro-3-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methylcarbamoyl]phenyl]-N-(1H-indazol-5-yl)-4-methyl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxamide?
(5S,6R)-6-[4-fluoro-3-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methylcarbamoyl]phenyl]-N-(1H-indazol-5-yl)-4-methyl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxamide has a molecular weight of 534.51 g/mol, XLogP of 2.64, 8 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,6R)-6-[4-fluoro-3-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methylcarbamoyl]phenyl]-N-(1H-indazol-5-yl)-4-methyl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 133053548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).