7-(4-chloro-2-methylindazol-5-yl)-3-(5,5-difluoro-2,7-diazaspiro[3.5]nonan-7-yl)-5H-pyrrolo[2,3-b]pyrazine

C21H20ClF2N7 — CID 150160666

IUPAC7-(4-chloro-2-methylindazol-5-yl)-3-(5,5-difluoro-2,7-diazaspiro[3.5]nonan-7-yl)-5H-pyrrolo[2,3-b]pyrazine
SMILESCn1cc2c(Cl)c(-c3c[nH]c4nc(N5CCC6(CNC6)C(F)(F)C5)cnc34)ccc2n1
InChIInChI=1S/C21H20ClF2N7/c1-30-8-14-15(29-30)3-2-12(17(14)22)13-6-27-19-18(13)26-7-16(28-19)31-5-4-20(9-25-10-20)21(23,24)11-31/h2-3,6-8,25H,4-5,9-11H2,1H3,(H,27,28)
InChIKeyFHIXZTNFJHTFGC-UHFFFAOYSA-N
MW443.89 g/mol
LogP3.60
Rot. Bonds2

About 7-(4-chloro-2-methylindazol-5-yl)-3-(5,5-difluoro-2,7-diazaspiro[3.5]nonan-7-yl)-5H-pyrrolo[2,3-b]pyrazine

7-(4-chloro-2-methylindazol-5-yl)-3-(5,5-difluoro-2,7-diazaspiro[3.5]nonan-7-yl)-5H-pyrrolo[2,3-b]pyrazine (PubChem CID 150160666) has the molecular formula C21H20ClF2N7 and a molecular weight of 443.89 g/mol. Its IUPAC name is 7-(4-chloro-2-methylindazol-5-yl)-3-(5,5-difluoro-2,7-diazaspiro[3.5]nonan-7-yl)-5H-pyrrolo[2,3-b]pyrazine.

Molecular Properties

Compound Name7-(4-chloro-2-methylindazol-5-yl)-3-(5,5-difluoro-2,7-diazaspiro[3.5]nonan-7-yl)-5H-pyrrolo[2,3-b]pyrazine
PubChem CID150160666
Molecular FormulaC21H20ClF2N7
Molecular Weight443.89 g/mol
Exact Mass443.14
IUPAC Name7-(4-chloro-2-methylindazol-5-yl)-3-(5,5-difluoro-2,7-diazaspiro[3.5]nonan-7-yl)-5H-pyrrolo[2,3-b]pyrazine
SMILESCn1cc2c(Cl)c(-c3c[nH]c4nc(N5CCC6(CNC6)C(F)(F)C5)cnc34)ccc2n1
InChIInChI=1S/C21H20ClF2N7/c1-30-8-14-15(29-30)3-2-12(17(14)22)13-6-27-19-18(13)26-7-16(28-19)31-5-4-20(9-25-10-20)21(23,24)11-31/h2-3,6-8,25H,4-5,9-11H2,1H3,(H,27,28)
InChIKeyFHIXZTNFJHTFGC-UHFFFAOYSA-N
XLogP3.60
TPSA74.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.89
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-chloro-7-(4-(4-chlorobenzyl)piperazin-1-yl)-2-(1,3-dimethyl-1H-pyrazol-4-yl)-3H-imidazo(4,5-b)pyridine
CID 71454279
3-(2-aminopyrimidin-5-yl)-N-ethyl-6-fluoro-4-[3-(trifluoromethyl)pyrazol-1-yl]-9H-pyrido[2,3-b]indol-8-amine
CID 146596836
N-ethyl-6-fluoro-3-pyrimidin-5-yl-4-[3-(trifluoromethyl)pyrazol-1-yl]-9H-pyrido[2,3-b]indol-8-amine
CID 146597322
N-ethyl-6-fluoro-3-[2-(methylamino)pyrimidin-5-yl]-4-[3-(trifluoromethyl)pyrazol-1-yl]-9H-pyrido[2,3-b]indol-8-amine
CID 146597414
3-(5-aminopyridin-3-yl)-N-ethyl-6-fluoro-4-[3-(trifluoromethyl)pyrazol-1-yl]-9H-pyrido[2,3-b]indol-8-amine
CID 146646535
N-ethyl-6-fluoro-3-(2-methylpyrimidin-5-yl)-4-[3-(trifluoromethyl)pyrazol-1-yl]-9H-pyrido[2,3-b]indol-8-amine
CID 146646638
3-[2-(azetidin-3-ylamino)pyrimidin-5-yl]-N-ethyl-6-fluoro-4-[3-(trifluoromethyl)pyrazol-1-yl]-9H-pyrido[2,3-b]indol-8-amine
CID 162649493
5-[8-(ethylamino)-6-fluoro-4-[3-(trifluoromethyl)pyrazol-1-yl]-9H-pyrido[2,3-b]indol-3-yl]-N'-methylpyridine-3-carboximidamide
CID 162668758
3-chloro-N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]aniline
CID 54766320
4-chloro-N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]aniline
CID 54766322
3,5-dichloro-N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]aniline
CID 54766324
6-chloro-3-(1H-indol-5-yl)imidazo[1,2-b]pyridazine
CID 90388565

Frequently Asked Questions

What is the IUPAC name of 7-(4-chloro-2-methylindazol-5-yl)-3-(5,5-difluoro-2,7-diazaspiro[3.5]nonan-7-yl)-5H-pyrrolo[2,3-b]pyrazine?
The IUPAC name of 7-(4-chloro-2-methylindazol-5-yl)-3-(5,5-difluoro-2,7-diazaspiro[3.5]nonan-7-yl)-5H-pyrrolo[2,3-b]pyrazine (CID 150160666) is 7-(4-chloro-2-methylindazol-5-yl)-3-(5,5-difluoro-2,7-diazaspiro[3.5]nonan-7-yl)-5H-pyrrolo[2,3-b]pyrazine.
What is the SMILES notation for 7-(4-chloro-2-methylindazol-5-yl)-3-(5,5-difluoro-2,7-diazaspiro[3.5]nonan-7-yl)-5H-pyrrolo[2,3-b]pyrazine?
The canonical SMILES for 7-(4-chloro-2-methylindazol-5-yl)-3-(5,5-difluoro-2,7-diazaspiro[3.5]nonan-7-yl)-5H-pyrrolo[2,3-b]pyrazine is Cn1cc2c(Cl)c(-c3c[nH]c4nc(N5CCC6(CNC6)C(F)(F)C5)cnc34)ccc2n1.
What is the InChIKey of 7-(4-chloro-2-methylindazol-5-yl)-3-(5,5-difluoro-2,7-diazaspiro[3.5]nonan-7-yl)-5H-pyrrolo[2,3-b]pyrazine?
The InChIKey is FHIXZTNFJHTFGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClF2N7/c1-30-8-14-15(29-30)3-2-12(17(14)22)13-6-27-19-18(13)26-7-16(28-19)31-5-4-20(9-25-10-20)21(23,24)11-31/h2-3,6-8,25H,4-5,9-11H2,1H3,(H,27,28).
What are the key properties of 7-(4-chloro-2-methylindazol-5-yl)-3-(5,5-difluoro-2,7-diazaspiro[3.5]nonan-7-yl)-5H-pyrrolo[2,3-b]pyrazine?
7-(4-chloro-2-methylindazol-5-yl)-3-(5,5-difluoro-2,7-diazaspiro[3.5]nonan-7-yl)-5H-pyrrolo[2,3-b]pyrazine has a molecular weight of 443.89 g/mol, XLogP of 3.60, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-chloro-2-methylindazol-5-yl)-3-(5,5-difluoro-2,7-diazaspiro[3.5]nonan-7-yl)-5H-pyrrolo[2,3-b]pyrazine is sourced from PubChem (CID 150160666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).