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

C25H29F2N7O5 — CID 168936231

IUPACN-[(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
SMILESCOCC(c1cc(F)cnc1OC)n1cc(NC(=O)[C@@H](NC(=O)c2nonc2C)C(C2CC2)C2CC2)c(F)n1
InChIInChI=1S/C25H29F2N7O5/c1-12-20(33-39-32-12)23(35)30-21(19(13-4-5-13)14-6-7-14)24(36)29-17-10-34(31-22(17)27)18(11-37-2)16-8-15(26)9-28-25(16)38-3/h8-10,13-14,18-19,21H,4-7,11H2,1-3H3,(H,29,36)(H,30,35)/t18?,21-/m0/s1
InChIKeyYJPNVPBQDKCRQB-ZYZRXSCRSA-N
MW545.55 g/mol
LogP2.67
Rot. Bonds12

About 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

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 (PubChem CID 168936231) has the molecular formula C25H29F2N7O5 and a molecular weight of 545.55 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[(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
PubChem CID168936231
Molecular FormulaC25H29F2N7O5
Molecular Weight545.55 g/mol
Exact Mass545.22
IUPAC NameN-[(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
SMILESCOCC(c1cc(F)cnc1OC)n1cc(NC(=O)[C@@H](NC(=O)c2nonc2C)C(C2CC2)C2CC2)c(F)n1
InChIInChI=1S/C25H29F2N7O5/c1-12-20(33-39-32-12)23(35)30-21(19(13-4-5-13)14-6-7-14)24(36)29-17-10-34(31-22(17)27)18(11-37-2)16-8-15(26)9-28-25(16)38-3/h8-10,13-14,18-19,21H,4-7,11H2,1-3H3,(H,29,36)(H,30,35)/t18?,21-/m0/s1
InChIKeyYJPNVPBQDKCRQB-ZYZRXSCRSA-N
XLogP2.67
TPSA146.29 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds12
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500545.55
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 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 with MolForge

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Launch Full Analysis

Related Compounds

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
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
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-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
N-[(1S)-2-[[3-fluoro-1-[1-[5-(2,2,2-trifluoroethyl)-1H-pyrazol-4-yl]propyl]pyrazol-4-yl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide
CID 175926332
(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-[(1S)-2-[[1-[3,3-difluoro-1-[1-(2,2,2-trifluoroethyl)tetrazol-5-yl]propyl]-3-fluoropyrazol-4-yl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide
CID 175926360
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
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-[(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-[(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
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COCC(c1cc(F)cnc1OC)n1cc(NC(=O)[C@@H](NC(=O)c2nonc2C)C(C2CC2)C2CC2)c(F)n1.
What is the InChIKey of 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?
The InChIKey is YJPNVPBQDKCRQB-ZYZRXSCRSA-N. The full InChI is InChI=1S/C25H29F2N7O5/c1-12-20(33-39-32-12)23(35)30-21(19(13-4-5-13)14-6-7-14)24(36)29-17-10-34(31-22(17)27)18(11-37-2)16-8-15(26)9-28-25(16)38-3/h8-10,13-14,18-19,21H,4-7,11H2,1-3H3,(H,29,36)(H,30,35)/t18?,21-/m0/s1.
What are the key properties of 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?
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 has a molecular weight of 545.55 g/mol, XLogP of 2.67, 12 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 168936231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).