3-amino-N-[(2,6-difluorophenyl)methyl]-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-morpholin-3-ylpyrazine-2-carboxamide

C24H23F2N7O2 — CID 175080500

IUPAC3-amino-N-[(2,6-difluorophenyl)methyl]-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-morpholin-3-ylpyrazine-2-carboxamide
SMILESCc1cnc2ccc(-c3nc(C(=O)NCc4c(F)cccc4F)c(N)nc3C3COCCN3)cn12
InChIInChI=1S/C24H23F2N7O2/c1-13-9-29-19-6-5-14(11-33(13)19)20-21(18-12-35-8-7-28-18)32-23(27)22(31-20)24(34)30-10-15-16(25)3-2-4-17(15)26/h2-6,9,11,18,28H,7-8,10,12H2,1H3,(H2,27,32)(H,30,34)
InChIKeyLMHDNUQMVXEROA-UHFFFAOYSA-N
MW479.49 g/mol
LogP2.55
Rot. Bonds5

About 3-amino-N-[(2,6-difluorophenyl)methyl]-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-morpholin-3-ylpyrazine-2-carboxamide

3-amino-N-[(2,6-difluorophenyl)methyl]-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-morpholin-3-ylpyrazine-2-carboxamide (PubChem CID 175080500) has the molecular formula C24H23F2N7O2 and a molecular weight of 479.49 g/mol. Its IUPAC name is 3-amino-N-[(2,6-difluorophenyl)methyl]-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-morpholin-3-ylpyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[(2,6-difluorophenyl)methyl]-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-morpholin-3-ylpyrazine-2-carboxamide
PubChem CID175080500
Molecular FormulaC24H23F2N7O2
Molecular Weight479.49 g/mol
Exact Mass479.19
IUPAC Name3-amino-N-[(2,6-difluorophenyl)methyl]-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-morpholin-3-ylpyrazine-2-carboxamide
SMILESCc1cnc2ccc(-c3nc(C(=O)NCc4c(F)cccc4F)c(N)nc3C3COCCN3)cn12
InChIInChI=1S/C24H23F2N7O2/c1-13-9-29-19-6-5-14(11-33(13)19)20-21(18-12-35-8-7-28-18)32-23(27)22(31-20)24(34)30-10-15-16(25)3-2-4-17(15)26/h2-6,9,11,18,28H,7-8,10,12H2,1H3,(H2,27,32)(H,30,34)
InChIKeyLMHDNUQMVXEROA-UHFFFAOYSA-N
XLogP2.55
TPSA119.46 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.49
LogP ≤ 52.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(2,6-difluorophenyl)methyl]-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-morpholin-3-ylpyrazine-2-carboxamide?
The IUPAC name of 3-amino-N-[(2,6-difluorophenyl)methyl]-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-morpholin-3-ylpyrazine-2-carboxamide (CID 175080500) is 3-amino-N-[(2,6-difluorophenyl)methyl]-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-morpholin-3-ylpyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[(2,6-difluorophenyl)methyl]-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-morpholin-3-ylpyrazine-2-carboxamide?
The canonical SMILES for 3-amino-N-[(2,6-difluorophenyl)methyl]-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-morpholin-3-ylpyrazine-2-carboxamide is Cc1cnc2ccc(-c3nc(C(=O)NCc4c(F)cccc4F)c(N)nc3C3COCCN3)cn12.
What is the InChIKey of 3-amino-N-[(2,6-difluorophenyl)methyl]-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-morpholin-3-ylpyrazine-2-carboxamide?
The InChIKey is LMHDNUQMVXEROA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F2N7O2/c1-13-9-29-19-6-5-14(11-33(13)19)20-21(18-12-35-8-7-28-18)32-23(27)22(31-20)24(34)30-10-15-16(25)3-2-4-17(15)26/h2-6,9,11,18,28H,7-8,10,12H2,1H3,(H2,27,32)(H,30,34).
What are the key properties of 3-amino-N-[(2,6-difluorophenyl)methyl]-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-morpholin-3-ylpyrazine-2-carboxamide?
3-amino-N-[(2,6-difluorophenyl)methyl]-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-morpholin-3-ylpyrazine-2-carboxamide has a molecular weight of 479.49 g/mol, XLogP of 2.55, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(2,6-difluorophenyl)methyl]-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-morpholin-3-ylpyrazine-2-carboxamide is sourced from PubChem (CID 175080500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).