1-[6-[3-methyl-7-(methylamino)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-11-yl]-2-pyridinyl]pyrrolidin-3-ol

C19H21N7O — CID 67533596

IUPAC1-[6-[3-methyl-7-(methylamino)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-11-yl]-2-pyridinyl]pyrrolidin-3-ol
SMILESCNc1nc2[nH]c(-c3cccc(N4CCC(O)C4)n3)cc2c2c1ncn2C
InChIInChI=1S/C19H21N7O/c1-20-19-16-17(25(2)10-21-16)12-8-14(23-18(12)24-19)13-4-3-5-15(22-13)26-7-6-11(27)9-26/h3-5,8,10-11,27H,6-7,9H2,1-2H3,(H2,20,23,24)
InChIKeyKYZYMJDMMMEBHN-UHFFFAOYSA-N
MW363.43 g/mol
LogP2.12
Rot. Bonds3

About 1-[6-[3-methyl-7-(methylamino)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-11-yl]-2-pyridinyl]pyrrolidin-3-ol

1-[6-[3-methyl-7-(methylamino)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-11-yl]-2-pyridinyl]pyrrolidin-3-ol (PubChem CID 67533596) has the molecular formula C19H21N7O and a molecular weight of 363.43 g/mol. Its IUPAC name is 1-[6-[3-methyl-7-(methylamino)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-11-yl]-2-pyridinyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-[6-[3-methyl-7-(methylamino)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-11-yl]-2-pyridinyl]pyrrolidin-3-ol
PubChem CID67533596
Molecular FormulaC19H21N7O
Molecular Weight363.43 g/mol
Exact Mass363.18
IUPAC Name1-[6-[3-methyl-7-(methylamino)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-11-yl]-2-pyridinyl]pyrrolidin-3-ol
SMILESCNc1nc2[nH]c(-c3cccc(N4CCC(O)C4)n3)cc2c2c1ncn2C
InChIInChI=1S/C19H21N7O/c1-20-19-16-17(25(2)10-21-16)12-8-14(23-18(12)24-19)13-4-3-5-15(22-13)26-7-6-11(27)9-26/h3-5,8,10-11,27H,6-7,9H2,1-2H3,(H2,20,23,24)
InChIKeyKYZYMJDMMMEBHN-UHFFFAOYSA-N
XLogP2.12
TPSA94.89 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.43
LogP ≤ 52.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 1-[6-[3-methyl-7-(methylamino)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-11-yl]-2-pyridinyl]pyrrolidin-3-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[6-[3-methyl-7-(methylamino)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-11-yl]-2-pyridinyl]pyrrolidin-3-ol?
The IUPAC name of 1-[6-[3-methyl-7-(methylamino)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-11-yl]-2-pyridinyl]pyrrolidin-3-ol (CID 67533596) is 1-[6-[3-methyl-7-(methylamino)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-11-yl]-2-pyridinyl]pyrrolidin-3-ol.
What is the SMILES notation for 1-[6-[3-methyl-7-(methylamino)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-11-yl]-2-pyridinyl]pyrrolidin-3-ol?
The canonical SMILES for 1-[6-[3-methyl-7-(methylamino)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-11-yl]-2-pyridinyl]pyrrolidin-3-ol is CNc1nc2[nH]c(-c3cccc(N4CCC(O)C4)n3)cc2c2c1ncn2C.
What is the InChIKey of 1-[6-[3-methyl-7-(methylamino)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-11-yl]-2-pyridinyl]pyrrolidin-3-ol?
The InChIKey is KYZYMJDMMMEBHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N7O/c1-20-19-16-17(25(2)10-21-16)12-8-14(23-18(12)24-19)13-4-3-5-15(22-13)26-7-6-11(27)9-26/h3-5,8,10-11,27H,6-7,9H2,1-2H3,(H2,20,23,24).
What are the key properties of 1-[6-[3-methyl-7-(methylamino)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-11-yl]-2-pyridinyl]pyrrolidin-3-ol?
1-[6-[3-methyl-7-(methylamino)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-11-yl]-2-pyridinyl]pyrrolidin-3-ol has a molecular weight of 363.43 g/mol, XLogP of 2.12, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[3-methyl-7-(methylamino)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-11-yl]-2-pyridinyl]pyrrolidin-3-ol is sourced from PubChem (CID 67533596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).