3-amino-6-[2-[2-amino-1-(3,3-dimethyl-2,4-dihydropyrrol-5-yl)ethenyl]-4-pyridinyl]-N-(5-fluoropiperidin-3-yl)pyrazine-2-carboxamide

C23H29FN8O — CID 174115980

IUPAC3-amino-6-[2-[2-amino-1-(3,3-dimethyl-2,4-dihydropyrrol-5-yl)ethenyl]-4-pyridinyl]-N-(5-fluoropiperidin-3-yl)pyrazine-2-carboxamide
SMILESCC1(C)CN=C(C(=CN)c2cc(-c3cnc(N)c(C(=O)NC4CNCC(F)C4)n3)ccn2)C1
InChIInChI=1S/C23H29FN8O/c1-23(2)7-18(30-12-23)16(8-25)17-5-13(3-4-28-17)19-11-29-21(26)20(32-19)22(33)31-15-6-14(24)9-27-10-15/h3-5,8,11,14-15,27H,6-7,9-10,12,25H2,1-2H3,(H2,26,29)(H,31,33)
InChIKeyOLPRFLFAPOVWFT-UHFFFAOYSA-N
MW452.54 g/mol
LogP1.72
Rot. Bonds5

About 3-amino-6-[2-[2-amino-1-(3,3-dimethyl-2,4-dihydropyrrol-5-yl)ethenyl]-4-pyridinyl]-N-(5-fluoropiperidin-3-yl)pyrazine-2-carboxamide

3-amino-6-[2-[2-amino-1-(3,3-dimethyl-2,4-dihydropyrrol-5-yl)ethenyl]-4-pyridinyl]-N-(5-fluoropiperidin-3-yl)pyrazine-2-carboxamide (PubChem CID 174115980) has the molecular formula C23H29FN8O and a molecular weight of 452.54 g/mol. Its IUPAC name is 3-amino-6-[2-[2-amino-1-(3,3-dimethyl-2,4-dihydropyrrol-5-yl)ethenyl]-4-pyridinyl]-N-(5-fluoropiperidin-3-yl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-[2-[2-amino-1-(3,3-dimethyl-2,4-dihydropyrrol-5-yl)ethenyl]-4-pyridinyl]-N-(5-fluoropiperidin-3-yl)pyrazine-2-carboxamide
PubChem CID174115980
Molecular FormulaC23H29FN8O
Molecular Weight452.54 g/mol
Exact Mass452.24
IUPAC Name3-amino-6-[2-[2-amino-1-(3,3-dimethyl-2,4-dihydropyrrol-5-yl)ethenyl]-4-pyridinyl]-N-(5-fluoropiperidin-3-yl)pyrazine-2-carboxamide
SMILESCC1(C)CN=C(C(=CN)c2cc(-c3cnc(N)c(C(=O)NC4CNCC(F)C4)n3)ccn2)C1
InChIInChI=1S/C23H29FN8O/c1-23(2)7-18(30-12-23)16(8-25)17-5-13(3-4-28-17)19-11-29-21(26)20(32-19)22(33)31-15-6-14(24)9-27-10-15/h3-5,8,11,14-15,27H,6-7,9-10,12,25H2,1-2H3,(H2,26,29)(H,31,33)
InChIKeyOLPRFLFAPOVWFT-UHFFFAOYSA-N
XLogP1.72
TPSA144.20 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.54
LogP ≤ 51.72
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze 3-amino-6-[2-[2-amino-1-(3,3-dimethyl-2,4-dihydropyrrol-5-yl)ethenyl]-4-pyridinyl]-N-(5-fluoropiperidin-3-yl)pyrazine-2-carboxamide with MolForge

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Related Compounds

3-amino-N-[(3S,5S)-5-fluoropiperidin-3-yl]-6-[3-[1-(isocyanomethyl)pyrazol-4-yl]phenyl]pyrazine-2-carboxamide
CID 176780916
3-amino-6-[2-[1-amino-3-(2,2,2-trifluoroethylimino)prop-1-en-2-yl]-5-fluoro-4-pyridinyl]-N-(5-fluoropiperidin-3-yl)pyrazine-2-carboxamide
CID 174115957
3-amino-6-[2-(5,5-dimethyl-4,6-dihydropyrrolo[2,1-e]pyrazol-3-yl)-4-pyridinyl]-N-(4-hydroxypyrrolidin-3-yl)pyrazine-2-carboxamide
CID 170222065
3-amino-6-[3-(5,5-dimethyl-4,6-dihydropyrrolo[2,1-e]pyrazol-3-yl)phenyl]-N-(1,4-oxazepan-6-yl)pyrazine-2-carboxamide
CID 170222109
N-[[3-[5-amino-6-[[(3S)-piperidin-3-yl]carbamoyl]pyrazin-2-yl]phenyl]methyl]-1,2-oxazole-5-carboxamide
CID 68651801
N-[[3-[5-amino-6-[[(3S)-piperidin-3-yl]carbamoyl]pyrazin-2-yl]phenyl]methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 68651764
3-amino-6-[3-[2-(diethylamino)ethoxy]phenyl]-N-[(3S)-piperidin-3-yl]pyrazine-2-carboxamide
CID 68651617
3-amino-6-[3-[(4-chlorophenyl)methylcarbamoyl]phenyl]-N-[(3S)-pyrrolidin-3-yl]pyrazine-2-carboxamide
CID 68650950
3-amino-6-[3-[(6-chloro-2-fluoro-3-methylphenyl)methylcarbamoyl]phenyl]-N-[(3S)-piperidin-3-yl]pyrazine-2-carboxamide
CID 68650312
3-amino-N-(4-azaspiro[2.5]octan-6-yl)-6-[5-(5,5-dimethyl-4,6-dihydropyrrolo[2,1-e]pyrazol-3-yl)-2-fluorophenyl]pyrazine-2-carboxamide
CID 170221957
3-amino-6-[3-[(3,5-dimethoxyphenyl)methylcarbamoyl]phenyl]-N-[(3S)-piperidin-3-yl]pyrazine-2-carboxamide
CID 68651270
3-amino-6-[3-[(2,3-difluorophenyl)methylcarbamoyl]phenyl]-N-[(3S)-piperidin-3-yl]pyrazine-2-carboxamide
CID 68651209

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-[2-[2-amino-1-(3,3-dimethyl-2,4-dihydropyrrol-5-yl)ethenyl]-4-pyridinyl]-N-(5-fluoropiperidin-3-yl)pyrazine-2-carboxamide?
The IUPAC name of 3-amino-6-[2-[2-amino-1-(3,3-dimethyl-2,4-dihydropyrrol-5-yl)ethenyl]-4-pyridinyl]-N-(5-fluoropiperidin-3-yl)pyrazine-2-carboxamide (CID 174115980) is 3-amino-6-[2-[2-amino-1-(3,3-dimethyl-2,4-dihydropyrrol-5-yl)ethenyl]-4-pyridinyl]-N-(5-fluoropiperidin-3-yl)pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-6-[2-[2-amino-1-(3,3-dimethyl-2,4-dihydropyrrol-5-yl)ethenyl]-4-pyridinyl]-N-(5-fluoropiperidin-3-yl)pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-6-[2-[2-amino-1-(3,3-dimethyl-2,4-dihydropyrrol-5-yl)ethenyl]-4-pyridinyl]-N-(5-fluoropiperidin-3-yl)pyrazine-2-carboxamide is CC1(C)CN=C(C(=CN)c2cc(-c3cnc(N)c(C(=O)NC4CNCC(F)C4)n3)ccn2)C1.
What is the InChIKey of 3-amino-6-[2-[2-amino-1-(3,3-dimethyl-2,4-dihydropyrrol-5-yl)ethenyl]-4-pyridinyl]-N-(5-fluoropiperidin-3-yl)pyrazine-2-carboxamide?
The InChIKey is OLPRFLFAPOVWFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29FN8O/c1-23(2)7-18(30-12-23)16(8-25)17-5-13(3-4-28-17)19-11-29-21(26)20(32-19)22(33)31-15-6-14(24)9-27-10-15/h3-5,8,11,14-15,27H,6-7,9-10,12,25H2,1-2H3,(H2,26,29)(H,31,33).
What are the key properties of 3-amino-6-[2-[2-amino-1-(3,3-dimethyl-2,4-dihydropyrrol-5-yl)ethenyl]-4-pyridinyl]-N-(5-fluoropiperidin-3-yl)pyrazine-2-carboxamide?
3-amino-6-[2-[2-amino-1-(3,3-dimethyl-2,4-dihydropyrrol-5-yl)ethenyl]-4-pyridinyl]-N-(5-fluoropiperidin-3-yl)pyrazine-2-carboxamide has a molecular weight of 452.54 g/mol, XLogP of 1.72, 5 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-[2-[2-amino-1-(3,3-dimethyl-2,4-dihydropyrrol-5-yl)ethenyl]-4-pyridinyl]-N-(5-fluoropiperidin-3-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 174115980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).