6-[6-(methylamino)-3-pyridinyl]-12-(1-methylpyrazol-4-yl)-3-[1-(oxolan-2-yl)propan-2-yl]-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5,10,12-pentaen-4-one

C26H27N7O3 — CID 71680784

IUPAC6-[6-(methylamino)-3-pyridinyl]-12-(1-methylpyrazol-4-yl)-3-[1-(oxolan-2-yl)propan-2-yl]-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5,10,12-pentaen-4-one
SMILESCNc1ccc(-c2nc(=O)n(C(C)CC3CCCO3)c3c2oc2ncc(-c4cnn(C)c4)cc23)cn1
InChIInChI=1S/C26H27N7O3/c1-15(9-19-5-4-8-35-19)33-23-20-10-17(18-13-30-32(3)14-18)12-29-25(20)36-24(23)22(31-26(33)34)16-6-7-21(27-2)28-11-16/h6-7,10-15,19H,4-5,8-9H2,1-3H3,(H,27,28)
InChIKeyQGNMSXUYMPGHQV-UHFFFAOYSA-N
MW485.55 g/mol
LogP4.17
Rot. Bonds6

About 6-[6-(methylamino)-3-pyridinyl]-12-(1-methylpyrazol-4-yl)-3-[1-(oxolan-2-yl)propan-2-yl]-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5,10,12-pentaen-4-one

6-[6-(methylamino)-3-pyridinyl]-12-(1-methylpyrazol-4-yl)-3-[1-(oxolan-2-yl)propan-2-yl]-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5,10,12-pentaen-4-one (PubChem CID 71680784) has the molecular formula C26H27N7O3 and a molecular weight of 485.55 g/mol. Its IUPAC name is 6-[6-(methylamino)-3-pyridinyl]-12-(1-methylpyrazol-4-yl)-3-[1-(oxolan-2-yl)propan-2-yl]-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5,10,12-pentaen-4-one.

Molecular Properties

Compound Name6-[6-(methylamino)-3-pyridinyl]-12-(1-methylpyrazol-4-yl)-3-[1-(oxolan-2-yl)propan-2-yl]-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5,10,12-pentaen-4-one
PubChem CID71680784
Molecular FormulaC26H27N7O3
Molecular Weight485.55 g/mol
Exact Mass485.22
IUPAC Name6-[6-(methylamino)-3-pyridinyl]-12-(1-methylpyrazol-4-yl)-3-[1-(oxolan-2-yl)propan-2-yl]-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5,10,12-pentaen-4-one
SMILESCNc1ccc(-c2nc(=O)n(C(C)CC3CCCO3)c3c2oc2ncc(-c4cnn(C)c4)cc23)cn1
InChIInChI=1S/C26H27N7O3/c1-15(9-19-5-4-8-35-19)33-23-20-10-17(18-13-30-32(3)14-18)12-29-25(20)36-24(23)22(31-26(33)34)16-6-7-21(27-2)28-11-16/h6-7,10-15,19H,4-5,8-9H2,1-3H3,(H,27,28)
InChIKeyQGNMSXUYMPGHQV-UHFFFAOYSA-N
XLogP4.17
TPSA112.89 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.55
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 6-[6-(methylamino)-3-pyridinyl]-12-(1-methylpyrazol-4-yl)-3-[1-(oxolan-2-yl)propan-2-yl]-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5,10,12-pentaen-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[6-(methylamino)-3-pyridinyl]-12-(1-methylpyrazol-4-yl)-3-[1-(oxolan-2-yl)propan-2-yl]-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5,10,12-pentaen-4-one?
The IUPAC name of 6-[6-(methylamino)-3-pyridinyl]-12-(1-methylpyrazol-4-yl)-3-[1-(oxolan-2-yl)propan-2-yl]-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5,10,12-pentaen-4-one (CID 71680784) is 6-[6-(methylamino)-3-pyridinyl]-12-(1-methylpyrazol-4-yl)-3-[1-(oxolan-2-yl)propan-2-yl]-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5,10,12-pentaen-4-one.
What is the SMILES notation for 6-[6-(methylamino)-3-pyridinyl]-12-(1-methylpyrazol-4-yl)-3-[1-(oxolan-2-yl)propan-2-yl]-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5,10,12-pentaen-4-one?
The canonical SMILES for 6-[6-(methylamino)-3-pyridinyl]-12-(1-methylpyrazol-4-yl)-3-[1-(oxolan-2-yl)propan-2-yl]-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5,10,12-pentaen-4-one is CNc1ccc(-c2nc(=O)n(C(C)CC3CCCO3)c3c2oc2ncc(-c4cnn(C)c4)cc23)cn1.
What is the InChIKey of 6-[6-(methylamino)-3-pyridinyl]-12-(1-methylpyrazol-4-yl)-3-[1-(oxolan-2-yl)propan-2-yl]-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5,10,12-pentaen-4-one?
The InChIKey is QGNMSXUYMPGHQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N7O3/c1-15(9-19-5-4-8-35-19)33-23-20-10-17(18-13-30-32(3)14-18)12-29-25(20)36-24(23)22(31-26(33)34)16-6-7-21(27-2)28-11-16/h6-7,10-15,19H,4-5,8-9H2,1-3H3,(H,27,28).
What are the key properties of 6-[6-(methylamino)-3-pyridinyl]-12-(1-methylpyrazol-4-yl)-3-[1-(oxolan-2-yl)propan-2-yl]-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5,10,12-pentaen-4-one?
6-[6-(methylamino)-3-pyridinyl]-12-(1-methylpyrazol-4-yl)-3-[1-(oxolan-2-yl)propan-2-yl]-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5,10,12-pentaen-4-one has a molecular weight of 485.55 g/mol, XLogP of 4.17, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-(methylamino)-3-pyridinyl]-12-(1-methylpyrazol-4-yl)-3-[1-(oxolan-2-yl)propan-2-yl]-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5,10,12-pentaen-4-one is sourced from PubChem (CID 71680784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).