N-[(2S)-1,1-dicyclopropyl-3-[[3-fluoro-1-[(1S)-1-(5-fluoro-2-methoxy-3-pyridinyl)ethyl]pyrazol-4-yl]amino]-3-oxopropan-2-yl]-4-ethyl-1,2,5-oxadiazole-3-carboxamide

C25H29F2N7O4 — CID 168935844

IUPACN-[(2S)-1,1-dicyclopropyl-3-[[3-fluoro-1-[(1S)-1-(5-fluoro-2-methoxy-3-pyridinyl)ethyl]pyrazol-4-yl]amino]-3-oxopropan-2-yl]-4-ethyl-1,2,5-oxadiazole-3-carboxamide
SMILESCCc1nonc1C(=O)N[C@H](C(=O)Nc1cn([C@@H](C)c2cc(F)cnc2OC)nc1F)C(C1CC1)C1CC1
InChIInChI=1S/C25H29F2N7O4/c1-4-17-20(33-38-32-17)23(35)30-21(19(13-5-6-13)14-7-8-14)24(36)29-18-11-34(31-22(18)27)12(2)16-9-15(26)10-28-25(16)37-3/h9-14,19,21H,4-8H2,1-3H3,(H,29,36)(H,30,35)/t12-,21-/m0/s1
InChIKeyADOPPQPFJCMDBG-QKVFXAPYSA-N
MW529.55 g/mol
LogP3.29
Rot. Bonds11

About N-[(2S)-1,1-dicyclopropyl-3-[[3-fluoro-1-[(1S)-1-(5-fluoro-2-methoxy-3-pyridinyl)ethyl]pyrazol-4-yl]amino]-3-oxopropan-2-yl]-4-ethyl-1,2,5-oxadiazole-3-carboxamide

N-[(2S)-1,1-dicyclopropyl-3-[[3-fluoro-1-[(1S)-1-(5-fluoro-2-methoxy-3-pyridinyl)ethyl]pyrazol-4-yl]amino]-3-oxopropan-2-yl]-4-ethyl-1,2,5-oxadiazole-3-carboxamide (PubChem CID 168935844) has the molecular formula C25H29F2N7O4 and a molecular weight of 529.55 g/mol. Its IUPAC name is N-[(2S)-1,1-dicyclopropyl-3-[[3-fluoro-1-[(1S)-1-(5-fluoro-2-methoxy-3-pyridinyl)ethyl]pyrazol-4-yl]amino]-3-oxopropan-2-yl]-4-ethyl-1,2,5-oxadiazole-3-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1,1-dicyclopropyl-3-[[3-fluoro-1-[(1S)-1-(5-fluoro-2-methoxy-3-pyridinyl)ethyl]pyrazol-4-yl]amino]-3-oxopropan-2-yl]-4-ethyl-1,2,5-oxadiazole-3-carboxamide
PubChem CID168935844
Molecular FormulaC25H29F2N7O4
Molecular Weight529.55 g/mol
Exact Mass529.22
IUPAC NameN-[(2S)-1,1-dicyclopropyl-3-[[3-fluoro-1-[(1S)-1-(5-fluoro-2-methoxy-3-pyridinyl)ethyl]pyrazol-4-yl]amino]-3-oxopropan-2-yl]-4-ethyl-1,2,5-oxadiazole-3-carboxamide
SMILESCCc1nonc1C(=O)N[C@H](C(=O)Nc1cn([C@@H](C)c2cc(F)cnc2OC)nc1F)C(C1CC1)C1CC1
InChIInChI=1S/C25H29F2N7O4/c1-4-17-20(33-38-32-17)23(35)30-21(19(13-5-6-13)14-7-8-14)24(36)29-18-11-34(31-22(18)27)12(2)16-9-15(26)10-28-25(16)37-3/h9-14,19,21H,4-8H2,1-3H3,(H,29,36)(H,30,35)/t12-,21-/m0/s1
InChIKeyADOPPQPFJCMDBG-QKVFXAPYSA-N
XLogP3.29
TPSA137.06 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500529.55
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze N-[(2S)-1,1-dicyclopropyl-3-[[3-fluoro-1-[(1S)-1-(5-fluoro-2-methoxy-3-pyridinyl)ethyl]pyrazol-4-yl]amino]-3-oxopropan-2-yl]-4-ethyl-1,2,5-oxadiazole-3-carboxamide with MolForge

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Related Compounds

N-[(2S)-1,1-dicyclopropyl-3-[[3-fluoro-1-[1-(5-fluoro-2-methoxy-3-pyridinyl)-2-methoxyethyl]pyrazol-4-yl]amino]-3-oxopropan-2-yl]-4-methyl-1,2,5-oxadiazole-3-carboxamide
CID 168936231
N-[(2S)-1,1-dicyclopropyl-3-[[3-fluoro-1-[1-(6-oxo-3-triethylsilyl-1H-pyridazin-5-yl)ethyl]pyrazol-4-yl]amino]-3-oxopropan-2-yl]-4-methyl-1,2,5-oxadiazole-3-carboxamide
CID 168936048
N-[(2S)-1-[[1-[(1S)-1-(3-chloro-6-oxo-1H-pyridazin-5-yl)ethyl]-3-fluoropyrazol-4-yl]amino]-3,3-dicyclopropyl-1-oxopropan-2-yl]-2-ethylpyrazole-3-carboxamide
CID 168935723
N-[(2S)-1,1-dicyclopropyl-3-[2-fluoro-4-[(2S,3R)-4-oxo-3-(propanoylamino)-4-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]butan-2-yl]anilino]-3-oxopropan-2-yl]-4-ethyl-1,2,5-oxadiazole-3-carboxamide
CID 169160813
3-fluoro-1-[(1S)-1-(5-fluoro-2-methoxy-3-pyridinyl)ethyl]pyrazol-4-amine
CID 168935703
N-[(1S)-1-(4,4-difluorocyclohexyl)-2-[[3-fluoro-1-[2-methoxy-1-[3-(2,2,2-trifluoroethyl)triazol-4-yl]ethyl]pyrazol-4-yl]amino]-2-oxoethyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide
CID 175926325
(2S)-2-amino-3,3-dicyclopropyl-N-[1-[1-(5-fluoro-2-methoxy-3-pyridinyl)-2-tri(propan-2-yl)silyloxyethyl]pyrazol-4-yl]propanamide
CID 168935974
N-[(2S)-1-[[1-[3-cyano-1-[3-(2,2,2-trifluoroethyl)triazol-4-yl]propyl]-3-fluoropyrazol-4-yl]amino]-3,3-dicyclopropyl-1-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide
CID 175926334
N-[(2S)-1,1-dicyclopropyl-3-[[1-[1-(5-fluoro-2-oxo-1H-pyridin-3-yl)-2-methoxyethyl]pyrazol-4-yl]amino]-3-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide
CID 168936236
4-amino-N-[1,1-dicyclopropyl-3-[[1-[(5-fluoro-2-methoxy-3-pyridinyl)methyl]pyrazol-4-yl]amino]-3-oxopropan-2-yl]-2-propan-2-yliminobut-3-enamide
CID 174073139
N-[(2S)-1,1-dicyclopropyl-3-[[1-[(1S)-3,3-difluoro-1-[4-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]propyl]-3-fluoropyrazol-4-yl]amino]-3-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide
CID 169172686
N-[(2S)-1,1-dicyclopropyl-3-[4-[(2S,3R)-4-[(3R)-3,4-dimethylpiperazin-1-yl]-3-[(2-methoxyacetyl)amino]-4-oxobutan-2-yl]-2-fluoroanilino]-3-oxopropan-2-yl]-4-methyl-1,2,5-oxadiazole-3-carboxamide
CID 169160849

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1,1-dicyclopropyl-3-[[3-fluoro-1-[(1S)-1-(5-fluoro-2-methoxy-3-pyridinyl)ethyl]pyrazol-4-yl]amino]-3-oxopropan-2-yl]-4-ethyl-1,2,5-oxadiazole-3-carboxamide?
The IUPAC name of N-[(2S)-1,1-dicyclopropyl-3-[[3-fluoro-1-[(1S)-1-(5-fluoro-2-methoxy-3-pyridinyl)ethyl]pyrazol-4-yl]amino]-3-oxopropan-2-yl]-4-ethyl-1,2,5-oxadiazole-3-carboxamide (CID 168935844) is N-[(2S)-1,1-dicyclopropyl-3-[[3-fluoro-1-[(1S)-1-(5-fluoro-2-methoxy-3-pyridinyl)ethyl]pyrazol-4-yl]amino]-3-oxopropan-2-yl]-4-ethyl-1,2,5-oxadiazole-3-carboxamide.
What is the SMILES notation for N-[(2S)-1,1-dicyclopropyl-3-[[3-fluoro-1-[(1S)-1-(5-fluoro-2-methoxy-3-pyridinyl)ethyl]pyrazol-4-yl]amino]-3-oxopropan-2-yl]-4-ethyl-1,2,5-oxadiazole-3-carboxamide?
The canonical SMILES for N-[(2S)-1,1-dicyclopropyl-3-[[3-fluoro-1-[(1S)-1-(5-fluoro-2-methoxy-3-pyridinyl)ethyl]pyrazol-4-yl]amino]-3-oxopropan-2-yl]-4-ethyl-1,2,5-oxadiazole-3-carboxamide is CCc1nonc1C(=O)N[C@H](C(=O)Nc1cn([C@@H](C)c2cc(F)cnc2OC)nc1F)C(C1CC1)C1CC1.
What is the InChIKey of N-[(2S)-1,1-dicyclopropyl-3-[[3-fluoro-1-[(1S)-1-(5-fluoro-2-methoxy-3-pyridinyl)ethyl]pyrazol-4-yl]amino]-3-oxopropan-2-yl]-4-ethyl-1,2,5-oxadiazole-3-carboxamide?
The InChIKey is ADOPPQPFJCMDBG-QKVFXAPYSA-N. The full InChI is InChI=1S/C25H29F2N7O4/c1-4-17-20(33-38-32-17)23(35)30-21(19(13-5-6-13)14-7-8-14)24(36)29-18-11-34(31-22(18)27)12(2)16-9-15(26)10-28-25(16)37-3/h9-14,19,21H,4-8H2,1-3H3,(H,29,36)(H,30,35)/t12-,21-/m0/s1.
What are the key properties of N-[(2S)-1,1-dicyclopropyl-3-[[3-fluoro-1-[(1S)-1-(5-fluoro-2-methoxy-3-pyridinyl)ethyl]pyrazol-4-yl]amino]-3-oxopropan-2-yl]-4-ethyl-1,2,5-oxadiazole-3-carboxamide?
N-[(2S)-1,1-dicyclopropyl-3-[[3-fluoro-1-[(1S)-1-(5-fluoro-2-methoxy-3-pyridinyl)ethyl]pyrazol-4-yl]amino]-3-oxopropan-2-yl]-4-ethyl-1,2,5-oxadiazole-3-carboxamide has a molecular weight of 529.55 g/mol, XLogP of 3.29, 11 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1,1-dicyclopropyl-3-[[3-fluoro-1-[(1S)-1-(5-fluoro-2-methoxy-3-pyridinyl)ethyl]pyrazol-4-yl]amino]-3-oxopropan-2-yl]-4-ethyl-1,2,5-oxadiazole-3-carboxamide is sourced from PubChem (CID 168935844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).