N-[3-[5-(2,2-difluoropropoxy)-6-oxo-1-[(2S)-1,1,1-trifluoropropan-2-yl]pyridazin-3-yl]-1-(7-oxaspiro[3.5]nonan-2-yl)pyrrolo[2,3-c]pyridin-5-yl]acetamide

C27H30F5N5O4 — CID 177149777

IUPACN-[3-[5-(2,2-difluoropropoxy)-6-oxo-1-[(2S)-1,1,1-trifluoropropan-2-yl]pyridazin-3-yl]-1-(7-oxaspiro[3.5]nonan-2-yl)pyrrolo[2,3-c]pyridin-5-yl]acetamide
SMILESCC(=O)Nc1cc2c(-c3cc(OCC(C)(F)F)c(=O)n([C@@H](C)C(F)(F)F)n3)cn(C3CC4(CCOCC4)C3)c2cn1
InChIInChI=1S/C27H30F5N5O4/c1-15(27(30,31)32)37-24(39)22(41-14-25(3,28)29)9-20(35-37)19-13-36(17-10-26(11-17)4-6-40-7-5-26)21-12-33-23(8-18(19)21)34-16(2)38/h8-9,12-13,15,17H,4-7,10-11,14H2,1-3H3,(H,33,34,38)/t15-/m0/s1
InChIKeyLNTXFPMGNHWIOS-HNNXBMFYSA-N
MW583.56 g/mol
LogP5.51
Rot. Bonds7

About N-[3-[5-(2,2-difluoropropoxy)-6-oxo-1-[(2S)-1,1,1-trifluoropropan-2-yl]pyridazin-3-yl]-1-(7-oxaspiro[3.5]nonan-2-yl)pyrrolo[2,3-c]pyridin-5-yl]acetamide

N-[3-[5-(2,2-difluoropropoxy)-6-oxo-1-[(2S)-1,1,1-trifluoropropan-2-yl]pyridazin-3-yl]-1-(7-oxaspiro[3.5]nonan-2-yl)pyrrolo[2,3-c]pyridin-5-yl]acetamide (PubChem CID 177149777) has the molecular formula C27H30F5N5O4 and a molecular weight of 583.56 g/mol. Its IUPAC name is N-[3-[5-(2,2-difluoropropoxy)-6-oxo-1-[(2S)-1,1,1-trifluoropropan-2-yl]pyridazin-3-yl]-1-(7-oxaspiro[3.5]nonan-2-yl)pyrrolo[2,3-c]pyridin-5-yl]acetamide.

Molecular Properties

Compound NameN-[3-[5-(2,2-difluoropropoxy)-6-oxo-1-[(2S)-1,1,1-trifluoropropan-2-yl]pyridazin-3-yl]-1-(7-oxaspiro[3.5]nonan-2-yl)pyrrolo[2,3-c]pyridin-5-yl]acetamide
PubChem CID177149777
Molecular FormulaC27H30F5N5O4
Molecular Weight583.56 g/mol
Exact Mass583.22
IUPAC NameN-[3-[5-(2,2-difluoropropoxy)-6-oxo-1-[(2S)-1,1,1-trifluoropropan-2-yl]pyridazin-3-yl]-1-(7-oxaspiro[3.5]nonan-2-yl)pyrrolo[2,3-c]pyridin-5-yl]acetamide
SMILESCC(=O)Nc1cc2c(-c3cc(OCC(C)(F)F)c(=O)n([C@@H](C)C(F)(F)F)n3)cn(C3CC4(CCOCC4)C3)c2cn1
InChIInChI=1S/C27H30F5N5O4/c1-15(27(30,31)32)37-24(39)22(41-14-25(3,28)29)9-20(35-37)19-13-36(17-10-26(11-17)4-6-40-7-5-26)21-12-33-23(8-18(19)21)34-16(2)38/h8-9,12-13,15,17H,4-7,10-11,14H2,1-3H3,(H,33,34,38)/t15-/m0/s1
InChIKeyLNTXFPMGNHWIOS-HNNXBMFYSA-N
XLogP5.51
TPSA100.27 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500583.56
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[3-[5-(2,2-difluoropropoxy)-6-oxo-1-[(2S)-1,1,1-trifluoropropan-2-yl]pyridazin-3-yl]-1-(7-oxaspiro[3.5]nonan-2-yl)pyrrolo[2,3-c]pyridin-5-yl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[3-[5-(2,2-difluoropropoxy)-6-oxo-1-[(2S)-1,1,1-trifluoropropan-2-yl]pyridazin-3-yl]-1-(7-oxaspiro[3.5]nonan-2-yl)pyrrolo[2,3-c]pyridin-5-yl]acetamide?
The IUPAC name of N-[3-[5-(2,2-difluoropropoxy)-6-oxo-1-[(2S)-1,1,1-trifluoropropan-2-yl]pyridazin-3-yl]-1-(7-oxaspiro[3.5]nonan-2-yl)pyrrolo[2,3-c]pyridin-5-yl]acetamide (CID 177149777) is N-[3-[5-(2,2-difluoropropoxy)-6-oxo-1-[(2S)-1,1,1-trifluoropropan-2-yl]pyridazin-3-yl]-1-(7-oxaspiro[3.5]nonan-2-yl)pyrrolo[2,3-c]pyridin-5-yl]acetamide.
What is the SMILES notation for N-[3-[5-(2,2-difluoropropoxy)-6-oxo-1-[(2S)-1,1,1-trifluoropropan-2-yl]pyridazin-3-yl]-1-(7-oxaspiro[3.5]nonan-2-yl)pyrrolo[2,3-c]pyridin-5-yl]acetamide?
The canonical SMILES for N-[3-[5-(2,2-difluoropropoxy)-6-oxo-1-[(2S)-1,1,1-trifluoropropan-2-yl]pyridazin-3-yl]-1-(7-oxaspiro[3.5]nonan-2-yl)pyrrolo[2,3-c]pyridin-5-yl]acetamide is CC(=O)Nc1cc2c(-c3cc(OCC(C)(F)F)c(=O)n([C@@H](C)C(F)(F)F)n3)cn(C3CC4(CCOCC4)C3)c2cn1.
What is the InChIKey of N-[3-[5-(2,2-difluoropropoxy)-6-oxo-1-[(2S)-1,1,1-trifluoropropan-2-yl]pyridazin-3-yl]-1-(7-oxaspiro[3.5]nonan-2-yl)pyrrolo[2,3-c]pyridin-5-yl]acetamide?
The InChIKey is LNTXFPMGNHWIOS-HNNXBMFYSA-N. The full InChI is InChI=1S/C27H30F5N5O4/c1-15(27(30,31)32)37-24(39)22(41-14-25(3,28)29)9-20(35-37)19-13-36(17-10-26(11-17)4-6-40-7-5-26)21-12-33-23(8-18(19)21)34-16(2)38/h8-9,12-13,15,17H,4-7,10-11,14H2,1-3H3,(H,33,34,38)/t15-/m0/s1.
What are the key properties of N-[3-[5-(2,2-difluoropropoxy)-6-oxo-1-[(2S)-1,1,1-trifluoropropan-2-yl]pyridazin-3-yl]-1-(7-oxaspiro[3.5]nonan-2-yl)pyrrolo[2,3-c]pyridin-5-yl]acetamide?
N-[3-[5-(2,2-difluoropropoxy)-6-oxo-1-[(2S)-1,1,1-trifluoropropan-2-yl]pyridazin-3-yl]-1-(7-oxaspiro[3.5]nonan-2-yl)pyrrolo[2,3-c]pyridin-5-yl]acetamide has a molecular weight of 583.56 g/mol, XLogP of 5.51, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-(2,2-difluoropropoxy)-6-oxo-1-[(2S)-1,1,1-trifluoropropan-2-yl]pyridazin-3-yl]-1-(7-oxaspiro[3.5]nonan-2-yl)pyrrolo[2,3-c]pyridin-5-yl]acetamide is sourced from PubChem (CID 177149777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).