N-[(2S)-1,1-dicyclopropyl-3-[[3-(5-fluoro-2-phenylmethoxy-3-pyridinyl)-3-hydroxy-1-methyl-2-oxoindol-6-yl]amino]-3-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide

C37H39FN6O5 — CID 177368721

IUPACN-[(2S)-1,1-dicyclopropyl-3-[[3-(5-fluoro-2-phenylmethoxy-3-pyridinyl)-3-hydroxy-1-methyl-2-oxoindol-6-yl]amino]-3-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide
SMILESCC(C)n1nccc1C(=O)N[C@H](C(=O)Nc1ccc2c(c1)N(C)C(=O)C2(O)c1cc(F)cnc1OCc1ccccc1)C(C1CC1)C1CC1
InChIInChI=1S/C37H39FN6O5/c1-21(2)44-29(15-16-40-44)33(45)42-32(31(23-9-10-23)24-11-12-24)34(46)41-26-13-14-27-30(18-26)43(3)36(47)37(27,48)28-17-25(38)19-39-35(28)49-20-22-7-5-4-6-8-22/h4-8,13-19,21,23-24,31-32,48H,9-12,20H2,1-3H3,(H,41,46)(H,42,45)/t32-,37?/m0/s1
InChIKeyTYLGRGXOYFEXFY-XRRNFBIGSA-N
MW666.75 g/mol
LogP4.96
Rot. Bonds12

About N-[(2S)-1,1-dicyclopropyl-3-[[3-(5-fluoro-2-phenylmethoxy-3-pyridinyl)-3-hydroxy-1-methyl-2-oxoindol-6-yl]amino]-3-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide

N-[(2S)-1,1-dicyclopropyl-3-[[3-(5-fluoro-2-phenylmethoxy-3-pyridinyl)-3-hydroxy-1-methyl-2-oxoindol-6-yl]amino]-3-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide (PubChem CID 177368721) has the molecular formula C37H39FN6O5 and a molecular weight of 666.75 g/mol. Its IUPAC name is N-[(2S)-1,1-dicyclopropyl-3-[[3-(5-fluoro-2-phenylmethoxy-3-pyridinyl)-3-hydroxy-1-methyl-2-oxoindol-6-yl]amino]-3-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1,1-dicyclopropyl-3-[[3-(5-fluoro-2-phenylmethoxy-3-pyridinyl)-3-hydroxy-1-methyl-2-oxoindol-6-yl]amino]-3-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide
PubChem CID177368721
Molecular FormulaC37H39FN6O5
Molecular Weight666.75 g/mol
Exact Mass666.30
IUPAC NameN-[(2S)-1,1-dicyclopropyl-3-[[3-(5-fluoro-2-phenylmethoxy-3-pyridinyl)-3-hydroxy-1-methyl-2-oxoindol-6-yl]amino]-3-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide
SMILESCC(C)n1nccc1C(=O)N[C@H](C(=O)Nc1ccc2c(c1)N(C)C(=O)C2(O)c1cc(F)cnc1OCc1ccccc1)C(C1CC1)C1CC1
InChIInChI=1S/C37H39FN6O5/c1-21(2)44-29(15-16-40-44)33(45)42-32(31(23-9-10-23)24-11-12-24)34(46)41-26-13-14-27-30(18-26)43(3)36(47)37(27,48)28-17-25(38)19-39-35(28)49-20-22-7-5-4-6-8-22/h4-8,13-19,21,23-24,31-32,48H,9-12,20H2,1-3H3,(H,41,46)(H,42,45)/t32-,37?/m0/s1
InChIKeyTYLGRGXOYFEXFY-XRRNFBIGSA-N
XLogP4.96
TPSA138.68 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms49
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500666.75
LogP ≤ 54.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze N-[(2S)-1,1-dicyclopropyl-3-[[3-(5-fluoro-2-phenylmethoxy-3-pyridinyl)-3-hydroxy-1-methyl-2-oxoindol-6-yl]amino]-3-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1,1-dicyclopropyl-3-[[3-(5-fluoro-2-phenylmethoxy-3-pyridinyl)-3-hydroxy-1-methyl-2-oxoindol-6-yl]amino]-3-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide?
The IUPAC name of N-[(2S)-1,1-dicyclopropyl-3-[[3-(5-fluoro-2-phenylmethoxy-3-pyridinyl)-3-hydroxy-1-methyl-2-oxoindol-6-yl]amino]-3-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide (CID 177368721) is N-[(2S)-1,1-dicyclopropyl-3-[[3-(5-fluoro-2-phenylmethoxy-3-pyridinyl)-3-hydroxy-1-methyl-2-oxoindol-6-yl]amino]-3-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide.
What is the SMILES notation for N-[(2S)-1,1-dicyclopropyl-3-[[3-(5-fluoro-2-phenylmethoxy-3-pyridinyl)-3-hydroxy-1-methyl-2-oxoindol-6-yl]amino]-3-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide?
The canonical SMILES for N-[(2S)-1,1-dicyclopropyl-3-[[3-(5-fluoro-2-phenylmethoxy-3-pyridinyl)-3-hydroxy-1-methyl-2-oxoindol-6-yl]amino]-3-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide is CC(C)n1nccc1C(=O)N[C@H](C(=O)Nc1ccc2c(c1)N(C)C(=O)C2(O)c1cc(F)cnc1OCc1ccccc1)C(C1CC1)C1CC1.
What is the InChIKey of N-[(2S)-1,1-dicyclopropyl-3-[[3-(5-fluoro-2-phenylmethoxy-3-pyridinyl)-3-hydroxy-1-methyl-2-oxoindol-6-yl]amino]-3-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide?
The InChIKey is TYLGRGXOYFEXFY-XRRNFBIGSA-N. The full InChI is InChI=1S/C37H39FN6O5/c1-21(2)44-29(15-16-40-44)33(45)42-32(31(23-9-10-23)24-11-12-24)34(46)41-26-13-14-27-30(18-26)43(3)36(47)37(27,48)28-17-25(38)19-39-35(28)49-20-22-7-5-4-6-8-22/h4-8,13-19,21,23-24,31-32,48H,9-12,20H2,1-3H3,(H,41,46)(H,42,45)/t32-,37?/m0/s1.
What are the key properties of N-[(2S)-1,1-dicyclopropyl-3-[[3-(5-fluoro-2-phenylmethoxy-3-pyridinyl)-3-hydroxy-1-methyl-2-oxoindol-6-yl]amino]-3-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide?
N-[(2S)-1,1-dicyclopropyl-3-[[3-(5-fluoro-2-phenylmethoxy-3-pyridinyl)-3-hydroxy-1-methyl-2-oxoindol-6-yl]amino]-3-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide has a molecular weight of 666.75 g/mol, XLogP of 4.96, 12 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1,1-dicyclopropyl-3-[[3-(5-fluoro-2-phenylmethoxy-3-pyridinyl)-3-hydroxy-1-methyl-2-oxoindol-6-yl]amino]-3-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide is sourced from PubChem (CID 177368721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).