(8R)-N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-12-[(4-methylpyrazol-1-yl)methyl]-15-oxatetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9(14),10,12-hexaene-4-carboxamide

C28H27N5O2 — CID 145206825

IUPAC(8R)-N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-12-[(4-methylpyrazol-1-yl)methyl]-15-oxatetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9(14),10,12-hexaene-4-carboxamide
SMILESCc1cnn(Cc2ccc3c(c2)C2O[C@H]3c3ccc(C(=O)NCc4c(C)cc(N)nc4C)cc32)c1
InChIInChI=1S/C28H27N5O2/c1-15-11-31-33(13-15)14-18-4-6-20-22(9-18)27-23-10-19(5-7-21(23)26(20)35-27)28(34)30-12-24-16(2)8-25(29)32-17(24)3/h4-11,13,26-27H,12,14H2,1-3H3,(H2,29,32)(H,30,34)/t26-,27?/m1/s1
InChIKeyCPIXSFCYRWRGRW-AVJYQCBHSA-N
MW465.56 g/mol
LogP4.29
Rot. Bonds5

About (8R)-N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-12-[(4-methylpyrazol-1-yl)methyl]-15-oxatetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9(14),10,12-hexaene-4-carboxamide

(8R)-N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-12-[(4-methylpyrazol-1-yl)methyl]-15-oxatetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9(14),10,12-hexaene-4-carboxamide (PubChem CID 145206825) has the molecular formula C28H27N5O2 and a molecular weight of 465.56 g/mol. Its IUPAC name is (8R)-N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-12-[(4-methylpyrazol-1-yl)methyl]-15-oxatetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9(14),10,12-hexaene-4-carboxamide.

Molecular Properties

Compound Name(8R)-N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-12-[(4-methylpyrazol-1-yl)methyl]-15-oxatetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9(14),10,12-hexaene-4-carboxamide
PubChem CID145206825
Molecular FormulaC28H27N5O2
Molecular Weight465.56 g/mol
Exact Mass465.22
IUPAC Name(8R)-N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-12-[(4-methylpyrazol-1-yl)methyl]-15-oxatetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9(14),10,12-hexaene-4-carboxamide
SMILESCc1cnn(Cc2ccc3c(c2)C2O[C@H]3c3ccc(C(=O)NCc4c(C)cc(N)nc4C)cc32)c1
InChIInChI=1S/C28H27N5O2/c1-15-11-31-33(13-15)14-18-4-6-20-22(9-18)27-23-10-19(5-7-21(23)26(20)35-27)28(34)30-12-24-16(2)8-25(29)32-17(24)3/h4-11,13,26-27H,12,14H2,1-3H3,(H2,29,32)(H,30,34)/t26-,27?/m1/s1
InChIKeyCPIXSFCYRWRGRW-AVJYQCBHSA-N
XLogP4.29
TPSA95.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.56
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (8R)-N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-12-[(4-methylpyrazol-1-yl)methyl]-15-oxatetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9(14),10,12-hexaene-4-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-12-[(4-fluoropyrazol-1-yl)methyl]-15-oxatetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9(14),10,12-hexaene-4-carboxamide
CID 140757456
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-12-[(4-chloropyrazol-1-yl)methyl]-15-oxatetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9(14),10,12-hexaene-4-carboxamide
CID 140757731
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-12-[(3,5-dimethyl-4H-pyrazol-4-ylium-1-yl)methyl]-15-oxatetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9(14),10,12-hexaene-4-carboxamide
CID 140757727
11-[(4-methylpyrazol-1-yl)methyl]-15-oxatetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9(14),10,12-hexaene-4-carboxylic acid
CID 140757488
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-11,12-dicyclopropyl-15-oxatetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9(14),10,12-hexaene-4-carboxamide;2,2,2-trifluoroacetic acid
CID 172856690
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-11-(5-chloro-2-fluorophenyl)-15-oxatetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9(14),10,12-hexaene-4-carboxamide;N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-12-(5-chloro-2-fluorophenyl)-15-oxatetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9(14),10,12-hexaene-4-carboxamide
CID 159343923
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-11-(5-fluoro-2-propan-2-yloxy-4-pyridinyl)-15-oxatetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9(14),10,12-hexaene-4-carboxamide;N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-12-(5-fluoro-2-propan-2-yloxy-4-pyridinyl)-15-oxatetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9(14),10,12-hexaene-4-carboxamide
CID 159370366
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide;ethyl 1H-pyrazole-4-carboxylate;1-[(4-methylphenyl)methyl]pyrazole-4-carboxylic acid
CID 158294833
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]pyrazole-4-carboxamide
CID 56836261
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-benzylpyrrole-3-carboxamide
CID 56836928
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[[4-[(5-methylpyrazol-1-yl)methyl]phenyl]methyl]triazole-4-carboxamide
CID 58081254
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(2-benzyl-1,3-thiazol-4-yl)methyl]pyrazole-4-carboxamide
CID 56836332

Frequently Asked Questions

What is the IUPAC name of (8R)-N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-12-[(4-methylpyrazol-1-yl)methyl]-15-oxatetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9(14),10,12-hexaene-4-carboxamide?
The IUPAC name of (8R)-N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-12-[(4-methylpyrazol-1-yl)methyl]-15-oxatetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9(14),10,12-hexaene-4-carboxamide (CID 145206825) is (8R)-N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-12-[(4-methylpyrazol-1-yl)methyl]-15-oxatetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9(14),10,12-hexaene-4-carboxamide.
What is the SMILES notation for (8R)-N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-12-[(4-methylpyrazol-1-yl)methyl]-15-oxatetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9(14),10,12-hexaene-4-carboxamide?
The canonical SMILES for (8R)-N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-12-[(4-methylpyrazol-1-yl)methyl]-15-oxatetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9(14),10,12-hexaene-4-carboxamide is Cc1cnn(Cc2ccc3c(c2)C2O[C@H]3c3ccc(C(=O)NCc4c(C)cc(N)nc4C)cc32)c1.
What is the InChIKey of (8R)-N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-12-[(4-methylpyrazol-1-yl)methyl]-15-oxatetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9(14),10,12-hexaene-4-carboxamide?
The InChIKey is CPIXSFCYRWRGRW-AVJYQCBHSA-N. The full InChI is InChI=1S/C28H27N5O2/c1-15-11-31-33(13-15)14-18-4-6-20-22(9-18)27-23-10-19(5-7-21(23)26(20)35-27)28(34)30-12-24-16(2)8-25(29)32-17(24)3/h4-11,13,26-27H,12,14H2,1-3H3,(H2,29,32)(H,30,34)/t26-,27?/m1/s1.
What are the key properties of (8R)-N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-12-[(4-methylpyrazol-1-yl)methyl]-15-oxatetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9(14),10,12-hexaene-4-carboxamide?
(8R)-N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-12-[(4-methylpyrazol-1-yl)methyl]-15-oxatetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9(14),10,12-hexaene-4-carboxamide has a molecular weight of 465.56 g/mol, XLogP of 4.29, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (8R)-N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-12-[(4-methylpyrazol-1-yl)methyl]-15-oxatetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9(14),10,12-hexaene-4-carboxamide is sourced from PubChem (CID 145206825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).