3-[3-[6-(4-aminopiperidin-1-yl)pyrazin-2-yl]-1H-indazol-5-yl]-N,N-diethyl-2-fluorobenzamide

C27H30FN7O — CID 67959634

IUPAC3-[3-[6-(4-aminopiperidin-1-yl)pyrazin-2-yl]-1H-indazol-5-yl]-N,N-diethyl-2-fluorobenzamide
SMILESCCN(CC)C(=O)c1cccc(-c2ccc3[nH]nc(-c4cncc(N5CCC(N)CC5)n4)c3c2)c1F
InChIInChI=1S/C27H30FN7O/c1-3-34(4-2)27(36)20-7-5-6-19(25(20)28)17-8-9-22-21(14-17)26(33-32-22)23-15-30-16-24(31-23)35-12-10-18(29)11-13-35/h5-9,14-16,18H,3-4,10-13,29H2,1-2H3,(H,32,33)
InChIKeyXVQMRTMTNOWKSU-UHFFFAOYSA-N
MW487.58 g/mol
LogP4.24
Rot. Bonds6

About 3-[3-[6-(4-aminopiperidin-1-yl)pyrazin-2-yl]-1H-indazol-5-yl]-N,N-diethyl-2-fluorobenzamide

3-[3-[6-(4-aminopiperidin-1-yl)pyrazin-2-yl]-1H-indazol-5-yl]-N,N-diethyl-2-fluorobenzamide (PubChem CID 67959634) has the molecular formula C27H30FN7O and a molecular weight of 487.58 g/mol. Its IUPAC name is 3-[3-[6-(4-aminopiperidin-1-yl)pyrazin-2-yl]-1H-indazol-5-yl]-N,N-diethyl-2-fluorobenzamide.

Molecular Properties

Compound Name3-[3-[6-(4-aminopiperidin-1-yl)pyrazin-2-yl]-1H-indazol-5-yl]-N,N-diethyl-2-fluorobenzamide
PubChem CID67959634
Molecular FormulaC27H30FN7O
Molecular Weight487.58 g/mol
Exact Mass487.25
IUPAC Name3-[3-[6-(4-aminopiperidin-1-yl)pyrazin-2-yl]-1H-indazol-5-yl]-N,N-diethyl-2-fluorobenzamide
SMILESCCN(CC)C(=O)c1cccc(-c2ccc3[nH]nc(-c4cncc(N5CCC(N)CC5)n4)c3c2)c1F
InChIInChI=1S/C27H30FN7O/c1-3-34(4-2)27(36)20-7-5-6-19(25(20)28)17-8-9-22-21(14-17)26(33-32-22)23-15-30-16-24(31-23)35-12-10-18(29)11-13-35/h5-9,14-16,18H,3-4,10-13,29H2,1-2H3,(H,32,33)
InChIKeyXVQMRTMTNOWKSU-UHFFFAOYSA-N
XLogP4.24
TPSA104.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.58
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[6-[5-(3-fluorophenyl)-1H-indazol-3-yl]pyrazin-2-yl]piperidin-4-amine
CID 67959669
1-[6-(5-quinoxalin-6-yl-1H-indazol-3-yl)pyrazin-2-yl]piperidin-4-amine
CID 67959936
1-[6-[5-[3-(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-1H-indazol-3-yl]pyrazin-2-yl]piperidin-4-amine
CID 67959941
1-[6-[5-(5-ethenyl-2-methoxy-6-methyl-3-pyridinyl)-1H-indazol-3-yl]pyrazin-2-yl]piperidin-4-amine
CID 123670336
1-[6-[3-(2-fluorophenyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]pyrazin-2-yl]pyrrolidin-3-amine
CID 71253272
1-[6-[3-[4-(5-fluorothiophen-2-yl)-1H-indol-2-yl]-1H-indazol-5-yl]pyrazin-2-yl]azetidin-3-amine
CID 137310718
1-[6-[3-[4-(4-methylpiperazin-1-yl)-1H-indol-2-yl]-1H-indazol-5-yl]pyrazin-2-yl]azetidin-3-amine
CID 137116753
3-[2-[5-[6-(3-aminoazetidin-1-yl)pyrazin-2-yl]-1H-indazol-3-yl]-1H-pyrrolo[2,3-c]pyridin-4-yl]-5-fluorophenol
CID 137116915
(4S)-1-[6-(5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-2-pyridinyl]azepan-4-amine
CID 71253468
1-[6-[3-(4-pyridin-4-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-indazol-5-yl]pyrazin-2-yl]azetidin-3-amine
CID 137117012
1-[6-[3-[4-(3-fluoro-5-methylphenyl)-1H-benzimidazol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]pyrazin-2-yl]azetidin-3-amine
CID 136943366
5-(2,6-difluorophenyl)-3-[6-(piperidin-3-ylmethyl)pyrazin-2-yl]-1H-indazole;bis(2,2,2-trifluoroacetic acid)
CID 88532891

Frequently Asked Questions

What is the IUPAC name of 3-[3-[6-(4-aminopiperidin-1-yl)pyrazin-2-yl]-1H-indazol-5-yl]-N,N-diethyl-2-fluorobenzamide?
The IUPAC name of 3-[3-[6-(4-aminopiperidin-1-yl)pyrazin-2-yl]-1H-indazol-5-yl]-N,N-diethyl-2-fluorobenzamide (CID 67959634) is 3-[3-[6-(4-aminopiperidin-1-yl)pyrazin-2-yl]-1H-indazol-5-yl]-N,N-diethyl-2-fluorobenzamide.
What is the SMILES notation for 3-[3-[6-(4-aminopiperidin-1-yl)pyrazin-2-yl]-1H-indazol-5-yl]-N,N-diethyl-2-fluorobenzamide?
The canonical SMILES for 3-[3-[6-(4-aminopiperidin-1-yl)pyrazin-2-yl]-1H-indazol-5-yl]-N,N-diethyl-2-fluorobenzamide is CCN(CC)C(=O)c1cccc(-c2ccc3[nH]nc(-c4cncc(N5CCC(N)CC5)n4)c3c2)c1F.
What is the InChIKey of 3-[3-[6-(4-aminopiperidin-1-yl)pyrazin-2-yl]-1H-indazol-5-yl]-N,N-diethyl-2-fluorobenzamide?
The InChIKey is XVQMRTMTNOWKSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30FN7O/c1-3-34(4-2)27(36)20-7-5-6-19(25(20)28)17-8-9-22-21(14-17)26(33-32-22)23-15-30-16-24(31-23)35-12-10-18(29)11-13-35/h5-9,14-16,18H,3-4,10-13,29H2,1-2H3,(H,32,33).
What are the key properties of 3-[3-[6-(4-aminopiperidin-1-yl)pyrazin-2-yl]-1H-indazol-5-yl]-N,N-diethyl-2-fluorobenzamide?
3-[3-[6-(4-aminopiperidin-1-yl)pyrazin-2-yl]-1H-indazol-5-yl]-N,N-diethyl-2-fluorobenzamide has a molecular weight of 487.58 g/mol, XLogP of 4.24, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[6-(4-aminopiperidin-1-yl)pyrazin-2-yl]-1H-indazol-5-yl]-N,N-diethyl-2-fluorobenzamide is sourced from PubChem (CID 67959634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).