2-(6-methyl-3-pyridinyl)-1-(14-methyl-6,10,12,15-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11,13,15-tetraen-10-yl)propan-2-ol

C22H27N5O — CID 71008100

IUPAC2-(6-methyl-3-pyridinyl)-1-(14-methyl-6,10,12,15-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11,13,15-tetraen-10-yl)propan-2-ol
SMILESCc1ccc(C(C)(O)Cn2c3c(c4nc(C)cnc42)C2CCCN2CC3)cn1
InChIInChI=1S/C22H27N5O/c1-14-6-7-16(12-23-14)22(3,28)13-27-18-8-10-26-9-4-5-17(26)19(18)20-21(27)24-11-15(2)25-20/h6-7,11-12,17,28H,4-5,8-10,13H2,1-3H3
InChIKeyISHJZXOQGJKFSL-UHFFFAOYSA-N
MW377.49 g/mol
LogP3.04
Rot. Bonds3

About 2-(6-methyl-3-pyridinyl)-1-(14-methyl-6,10,12,15-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11,13,15-tetraen-10-yl)propan-2-ol

2-(6-methyl-3-pyridinyl)-1-(14-methyl-6,10,12,15-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11,13,15-tetraen-10-yl)propan-2-ol (PubChem CID 71008100) has the molecular formula C22H27N5O and a molecular weight of 377.49 g/mol. Its IUPAC name is 2-(6-methyl-3-pyridinyl)-1-(14-methyl-6,10,12,15-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11,13,15-tetraen-10-yl)propan-2-ol.

Molecular Properties

Compound Name2-(6-methyl-3-pyridinyl)-1-(14-methyl-6,10,12,15-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11,13,15-tetraen-10-yl)propan-2-ol
PubChem CID71008100
Molecular FormulaC22H27N5O
Molecular Weight377.49 g/mol
Exact Mass377.22
IUPAC Name2-(6-methyl-3-pyridinyl)-1-(14-methyl-6,10,12,15-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11,13,15-tetraen-10-yl)propan-2-ol
SMILESCc1ccc(C(C)(O)Cn2c3c(c4nc(C)cnc42)C2CCCN2CC3)cn1
InChIInChI=1S/C22H27N5O/c1-14-6-7-16(12-23-14)22(3,28)13-27-18-8-10-26-9-4-5-17(26)19(18)20-21(27)24-11-15(2)25-20/h6-7,11-12,17,28H,4-5,8-10,13H2,1-3H3
InChIKeyISHJZXOQGJKFSL-UHFFFAOYSA-N
XLogP3.04
TPSA67.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(6-methyl-3-pyridinyl)-1-(14-methyl-6,10,12,15-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11,13,15-tetraen-10-yl)propan-2-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(6-methyl-3-pyridinyl)-1-(14-methyl-6,10,12,15-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11,13,15-tetraen-10-yl)propan-2-ol?
The IUPAC name of 2-(6-methyl-3-pyridinyl)-1-(14-methyl-6,10,12,15-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11,13,15-tetraen-10-yl)propan-2-ol (CID 71008100) is 2-(6-methyl-3-pyridinyl)-1-(14-methyl-6,10,12,15-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11,13,15-tetraen-10-yl)propan-2-ol.
What is the SMILES notation for 2-(6-methyl-3-pyridinyl)-1-(14-methyl-6,10,12,15-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11,13,15-tetraen-10-yl)propan-2-ol?
The canonical SMILES for 2-(6-methyl-3-pyridinyl)-1-(14-methyl-6,10,12,15-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11,13,15-tetraen-10-yl)propan-2-ol is Cc1ccc(C(C)(O)Cn2c3c(c4nc(C)cnc42)C2CCCN2CC3)cn1.
What is the InChIKey of 2-(6-methyl-3-pyridinyl)-1-(14-methyl-6,10,12,15-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11,13,15-tetraen-10-yl)propan-2-ol?
The InChIKey is ISHJZXOQGJKFSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O/c1-14-6-7-16(12-23-14)22(3,28)13-27-18-8-10-26-9-4-5-17(26)19(18)20-21(27)24-11-15(2)25-20/h6-7,11-12,17,28H,4-5,8-10,13H2,1-3H3.
What are the key properties of 2-(6-methyl-3-pyridinyl)-1-(14-methyl-6,10,12,15-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11,13,15-tetraen-10-yl)propan-2-ol?
2-(6-methyl-3-pyridinyl)-1-(14-methyl-6,10,12,15-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11,13,15-tetraen-10-yl)propan-2-ol has a molecular weight of 377.49 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methyl-3-pyridinyl)-1-(14-methyl-6,10,12,15-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11,13,15-tetraen-10-yl)propan-2-ol is sourced from PubChem (CID 71008100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).