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

C27H24ClN5O2 — CID 140757731

About 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

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 (PubChem CID 140757731) has the molecular formula C27H24ClN5O2 and a molecular weight of 485.98 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 140757731
• Molecular Formula: C27H24ClN5O2
• Molecular Weight: 485.98 g/mol
• Exact Mass: 485.16
• IUPAC Name: 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
• SMILES: Cc1cc(N)nc(C)c1CNC(=O)c1ccc2c(c1)C1OC2c2ccc(Cn3cc(Cl)cn3)cc21
• InChI: InChI=1S/C27H24ClN5O2/c1-14-7-24(29)32-15(2)23(14)11-30-27(34)17-4-6-20-22(9-17)26-21-8-16(3-5-19(21)25(20)35-26)12-33-13-18(28)10-31-33/h3-10,13,25-26H,11-12H2,1-2H3,(H2,29,32)(H,30,34)
• InChIKey: RCRDNPMWXUNXDS-UHFFFAOYSA-N
• XLogP: 4.63
• TPSA: 95.06 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	485.98
LogP ≤ 5	4.63
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is Cc1cc(N)nc(C)c1CNC(=O)c1ccc2c(c1)C1OC2c2ccc(Cn3cc(Cl)cn3)cc21.

What is the InChIKey of 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?

The InChIKey is RCRDNPMWXUNXDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24ClN5O2/c1-14-7-24(29)32-15(2)23(14)11-30-27(34)17-4-6-20-22(9-17)26-21-8-16(3-5-19(21)25(20)35-26)12-33-13-18(28)10-31-33/h3-10,13,25-26H,11-12H2,1-2H3,(H2,29,32)(H,30,34).

What are the key properties of 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?

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 has a molecular weight of 485.98 g/mol, XLogP of 4.63, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 140757731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).