1-(14-methyl-6,10,13-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)-2-pyridin-3-ylpropan-2-ol

C22H26N4O — CID 71007637

IUPAC1-(14-methyl-6,10,13-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)-2-pyridin-3-ylpropan-2-ol
SMILESCc1cc2c3c(n(CC(C)(O)c4cccnc4)c2cn1)CCN1CCCC31
InChIInChI=1S/C22H26N4O/c1-15-11-17-20(13-24-15)26(14-22(2,27)16-5-3-8-23-12-16)19-7-10-25-9-4-6-18(25)21(17)19/h3,5,8,11-13,18,27H,4,6-7,9-10,14H2,1-2H3
InChIKeyCOBRNTAFJWBMFD-UHFFFAOYSA-N
MW362.48 g/mol
LogP3.34
Rot. Bonds3

About 1-(14-methyl-6,10,13-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)-2-pyridin-3-ylpropan-2-ol

1-(14-methyl-6,10,13-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)-2-pyridin-3-ylpropan-2-ol (PubChem CID 71007637) has the molecular formula C22H26N4O and a molecular weight of 362.48 g/mol. Its IUPAC name is 1-(14-methyl-6,10,13-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)-2-pyridin-3-ylpropan-2-ol.

Molecular Properties

Compound Name1-(14-methyl-6,10,13-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)-2-pyridin-3-ylpropan-2-ol
PubChem CID71007637
Molecular FormulaC22H26N4O
Molecular Weight362.48 g/mol
Exact Mass362.21
IUPAC Name1-(14-methyl-6,10,13-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)-2-pyridin-3-ylpropan-2-ol
SMILESCc1cc2c3c(n(CC(C)(O)c4cccnc4)c2cn1)CCN1CCCC31
InChIInChI=1S/C22H26N4O/c1-15-11-17-20(13-24-15)26(14-22(2,27)16-5-3-8-23-12-16)19-7-10-25-9-4-6-18(25)21(17)19/h3,5,8,11-13,18,27H,4,6-7,9-10,14H2,1-2H3
InChIKeyCOBRNTAFJWBMFD-UHFFFAOYSA-N
XLogP3.34
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(14-methyl-6,10,13-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)-2-pyridin-3-ylpropan-2-ol with MolForge

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Related Compounds

2-[8-fluoro-5-[(1S)-1-(3-fluoro-2-pyridinyl)butyl]-7-[3-methyl-5-(trideuteriomethyl)triazol-4-yl]pyrido[3,2-b]indol-3-yl]propan-2-ol
CID 166626509
US9725449, Example 278
CID 122694905
US10683290, Example 38
CID 155802706
9-N-butylmanzamine A
CID 44627836
9-N-neopentylmanzamine A
CID 44627938
2-[11-[3-methyl-5-(trideuteriomethyl)triazol-4-yl]-8-[(S)-oxan-4-yl(phenyl)methyl]-3,8,12-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaen-5-yl]propan-2-ol
CID 166629275
US9725449, Example 292
CID 122694916
US9725449, Example 364
CID 122694955
US9725449, Example 370
CID 122694958
US9725449, Example 366
CID 122694959
US9725449, Example 375
CID 122694961
US9725449, Example 336
CID 138403672

Frequently Asked Questions

What is the IUPAC name of 1-(14-methyl-6,10,13-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)-2-pyridin-3-ylpropan-2-ol?
The IUPAC name of 1-(14-methyl-6,10,13-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)-2-pyridin-3-ylpropan-2-ol (CID 71007637) is 1-(14-methyl-6,10,13-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)-2-pyridin-3-ylpropan-2-ol.
What is the SMILES notation for 1-(14-methyl-6,10,13-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)-2-pyridin-3-ylpropan-2-ol?
The canonical SMILES for 1-(14-methyl-6,10,13-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)-2-pyridin-3-ylpropan-2-ol is Cc1cc2c3c(n(CC(C)(O)c4cccnc4)c2cn1)CCN1CCCC31.
What is the InChIKey of 1-(14-methyl-6,10,13-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)-2-pyridin-3-ylpropan-2-ol?
The InChIKey is COBRNTAFJWBMFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O/c1-15-11-17-20(13-24-15)26(14-22(2,27)16-5-3-8-23-12-16)19-7-10-25-9-4-6-18(25)21(17)19/h3,5,8,11-13,18,27H,4,6-7,9-10,14H2,1-2H3.
What are the key properties of 1-(14-methyl-6,10,13-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)-2-pyridin-3-ylpropan-2-ol?
1-(14-methyl-6,10,13-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)-2-pyridin-3-ylpropan-2-ol has a molecular weight of 362.48 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(14-methyl-6,10,13-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)-2-pyridin-3-ylpropan-2-ol is sourced from PubChem (CID 71007637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).