1-[(1R,12R)-7-methyl-4,8,9,15-tetrazatetracyclo[10.2.1.02,10.05,9]pentadeca-2(10),3,5,7-tetraen-15-yl]-2-pyridin-3-ylethanone

C19H19N5O — CID 98062382

IUPAC1-[(1R,12R)-7-methyl-4,8,9,15-tetrazatetracyclo[10.2.1.02,10.05,9]pentadeca-2(10),3,5,7-tetraen-15-yl]-2-pyridin-3-ylethanone
SMILESCc1cc2ncc3c(n2n1)C[C@H]1CC[C@H]3N1C(=O)Cc1cccnc1
InChIInChI=1S/C19H19N5O/c1-12-7-18-21-11-15-16-5-4-14(9-17(15)24(18)22-12)23(16)19(25)8-13-3-2-6-20-10-13/h2-3,6-7,10-11,14,16H,4-5,8-9H2,1H3/t14-,16-/m1/s1
InChIKeyIGBFWFGWYNUUGR-GDBMZVCRSA-N
MW333.39 g/mol
LogP2.26
Rot. Bonds2

About 1-[(1R,12R)-7-methyl-4,8,9,15-tetrazatetracyclo[10.2.1.02,10.05,9]pentadeca-2(10),3,5,7-tetraen-15-yl]-2-pyridin-3-ylethanone

1-[(1R,12R)-7-methyl-4,8,9,15-tetrazatetracyclo[10.2.1.02,10.05,9]pentadeca-2(10),3,5,7-tetraen-15-yl]-2-pyridin-3-ylethanone (PubChem CID 98062382) has the molecular formula C19H19N5O and a molecular weight of 333.39 g/mol. Its IUPAC name is 1-[(1R,12R)-7-methyl-4,8,9,15-tetrazatetracyclo[10.2.1.02,10.05,9]pentadeca-2(10),3,5,7-tetraen-15-yl]-2-pyridin-3-ylethanone.

Molecular Properties

Compound Name1-[(1R,12R)-7-methyl-4,8,9,15-tetrazatetracyclo[10.2.1.02,10.05,9]pentadeca-2(10),3,5,7-tetraen-15-yl]-2-pyridin-3-ylethanone
PubChem CID98062382
Molecular FormulaC19H19N5O
Molecular Weight333.39 g/mol
Exact Mass333.16
IUPAC Name1-[(1R,12R)-7-methyl-4,8,9,15-tetrazatetracyclo[10.2.1.02,10.05,9]pentadeca-2(10),3,5,7-tetraen-15-yl]-2-pyridin-3-ylethanone
SMILESCc1cc2ncc3c(n2n1)C[C@H]1CC[C@H]3N1C(=O)Cc1cccnc1
InChIInChI=1S/C19H19N5O/c1-12-7-18-21-11-15-16-5-4-14(9-17(15)24(18)22-12)23(16)19(25)8-13-3-2-6-20-10-13/h2-3,6-7,10-11,14,16H,4-5,8-9H2,1H3/t14-,16-/m1/s1
InChIKeyIGBFWFGWYNUUGR-GDBMZVCRSA-N
XLogP2.26
TPSA63.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[(1R,12R)-7-methyl-4,8,9,15-tetrazatetracyclo[10.2.1.02,10.05,9]pentadeca-2(10),3,5,7-tetraen-15-yl]-2-pyridin-3-ylethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[(1R,12R)-7-methyl-4,8,9,15-tetrazatetracyclo[10.2.1.02,10.05,9]pentadeca-2(10),3,5,7-tetraen-15-yl]-2-pyridin-3-ylethanone?
The IUPAC name of 1-[(1R,12R)-7-methyl-4,8,9,15-tetrazatetracyclo[10.2.1.02,10.05,9]pentadeca-2(10),3,5,7-tetraen-15-yl]-2-pyridin-3-ylethanone (CID 98062382) is 1-[(1R,12R)-7-methyl-4,8,9,15-tetrazatetracyclo[10.2.1.02,10.05,9]pentadeca-2(10),3,5,7-tetraen-15-yl]-2-pyridin-3-ylethanone.
What is the SMILES notation for 1-[(1R,12R)-7-methyl-4,8,9,15-tetrazatetracyclo[10.2.1.02,10.05,9]pentadeca-2(10),3,5,7-tetraen-15-yl]-2-pyridin-3-ylethanone?
The canonical SMILES for 1-[(1R,12R)-7-methyl-4,8,9,15-tetrazatetracyclo[10.2.1.02,10.05,9]pentadeca-2(10),3,5,7-tetraen-15-yl]-2-pyridin-3-ylethanone is Cc1cc2ncc3c(n2n1)C[C@H]1CC[C@H]3N1C(=O)Cc1cccnc1.
What is the InChIKey of 1-[(1R,12R)-7-methyl-4,8,9,15-tetrazatetracyclo[10.2.1.02,10.05,9]pentadeca-2(10),3,5,7-tetraen-15-yl]-2-pyridin-3-ylethanone?
The InChIKey is IGBFWFGWYNUUGR-GDBMZVCRSA-N. The full InChI is InChI=1S/C19H19N5O/c1-12-7-18-21-11-15-16-5-4-14(9-17(15)24(18)22-12)23(16)19(25)8-13-3-2-6-20-10-13/h2-3,6-7,10-11,14,16H,4-5,8-9H2,1H3/t14-,16-/m1/s1.
What are the key properties of 1-[(1R,12R)-7-methyl-4,8,9,15-tetrazatetracyclo[10.2.1.02,10.05,9]pentadeca-2(10),3,5,7-tetraen-15-yl]-2-pyridin-3-ylethanone?
1-[(1R,12R)-7-methyl-4,8,9,15-tetrazatetracyclo[10.2.1.02,10.05,9]pentadeca-2(10),3,5,7-tetraen-15-yl]-2-pyridin-3-ylethanone has a molecular weight of 333.39 g/mol, XLogP of 2.26, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,12R)-7-methyl-4,8,9,15-tetrazatetracyclo[10.2.1.02,10.05,9]pentadeca-2(10),3,5,7-tetraen-15-yl]-2-pyridin-3-ylethanone is sourced from PubChem (CID 98062382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).