3-amino-N-[[6-[3-(dimethylamino)azetidin-1-yl]-2-pyridinyl]methyl]-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide

C27H28N10O2 — CID 146386518

IUPAC3-amino-N-[[6-[3-(dimethylamino)azetidin-1-yl]-2-pyridinyl]methyl]-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide
SMILESCc1cnc2ccc(-c3nc(C(=O)NCc4cccc(N5CC(N(C)C)C5)n4)c(N)nc3-c3ncco3)cn12
InChIInChI=1S/C27H28N10O2/c1-16-11-30-20-8-7-17(13-37(16)20)22-23(27-29-9-10-39-27)34-25(28)24(33-22)26(38)31-12-18-5-4-6-21(32-18)36-14-19(15-36)35(2)3/h4-11,13,19H,12,14-15H2,1-3H3,(H2,28,34)(H,31,38)
InChIKeyNSSAUZSHAJHJED-UHFFFAOYSA-N
MW524.59 g/mol
LogP2.41
Rot. Bonds7

About 3-amino-N-[[6-[3-(dimethylamino)azetidin-1-yl]-2-pyridinyl]methyl]-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide

3-amino-N-[[6-[3-(dimethylamino)azetidin-1-yl]-2-pyridinyl]methyl]-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide (PubChem CID 146386518) has the molecular formula C27H28N10O2 and a molecular weight of 524.59 g/mol. Its IUPAC name is 3-amino-N-[[6-[3-(dimethylamino)azetidin-1-yl]-2-pyridinyl]methyl]-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[[6-[3-(dimethylamino)azetidin-1-yl]-2-pyridinyl]methyl]-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide
PubChem CID146386518
Molecular FormulaC27H28N10O2
Molecular Weight524.59 g/mol
Exact Mass524.24
IUPAC Name3-amino-N-[[6-[3-(dimethylamino)azetidin-1-yl]-2-pyridinyl]methyl]-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide
SMILESCc1cnc2ccc(-c3nc(C(=O)NCc4cccc(N5CC(N(C)C)C5)n4)c(N)nc3-c3ncco3)cn12
InChIInChI=1S/C27H28N10O2/c1-16-11-30-20-8-7-17(13-37(16)20)22-23(27-29-9-10-39-27)34-25(28)24(33-22)26(38)31-12-18-5-4-6-21(32-18)36-14-19(15-36)35(2)3/h4-11,13,19H,12,14-15H2,1-3H3,(H2,28,34)(H,31,38)
InChIKeyNSSAUZSHAJHJED-UHFFFAOYSA-N
XLogP2.41
TPSA143.60 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.59
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Analyze 3-amino-N-[[6-[3-(dimethylamino)azetidin-1-yl]-2-pyridinyl]methyl]-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[6-[3-(dimethylamino)azetidin-1-yl]-2-pyridinyl]methyl]-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide?
The IUPAC name of 3-amino-N-[[6-[3-(dimethylamino)azetidin-1-yl]-2-pyridinyl]methyl]-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide (CID 146386518) is 3-amino-N-[[6-[3-(dimethylamino)azetidin-1-yl]-2-pyridinyl]methyl]-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[[6-[3-(dimethylamino)azetidin-1-yl]-2-pyridinyl]methyl]-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-N-[[6-[3-(dimethylamino)azetidin-1-yl]-2-pyridinyl]methyl]-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide is Cc1cnc2ccc(-c3nc(C(=O)NCc4cccc(N5CC(N(C)C)C5)n4)c(N)nc3-c3ncco3)cn12.
What is the InChIKey of 3-amino-N-[[6-[3-(dimethylamino)azetidin-1-yl]-2-pyridinyl]methyl]-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide?
The InChIKey is NSSAUZSHAJHJED-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N10O2/c1-16-11-30-20-8-7-17(13-37(16)20)22-23(27-29-9-10-39-27)34-25(28)24(33-22)26(38)31-12-18-5-4-6-21(32-18)36-14-19(15-36)35(2)3/h4-11,13,19H,12,14-15H2,1-3H3,(H2,28,34)(H,31,38).
What are the key properties of 3-amino-N-[[6-[3-(dimethylamino)azetidin-1-yl]-2-pyridinyl]methyl]-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide?
3-amino-N-[[6-[3-(dimethylamino)azetidin-1-yl]-2-pyridinyl]methyl]-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide has a molecular weight of 524.59 g/mol, XLogP of 2.41, 7 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[[6-[3-(dimethylamino)azetidin-1-yl]-2-pyridinyl]methyl]-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 146386518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).