(7-methylpyrazolo[1,5-a]pyrimidin-6-yl)-[(1S,5R)-3-(oxan-4-yl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]methanone

C20H27N5O2 — CID 70758827

IUPAC(7-methylpyrazolo[1,5-a]pyrimidin-6-yl)-[(1S,5R)-3-(oxan-4-yl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]methanone
SMILESCc1c(C(=O)N2C[C@H]3CC[C@@H]2CN(C2CCOCC2)C3)cnc2ccnn12
InChIInChI=1S/C20H27N5O2/c1-14-18(10-21-19-4-7-22-25(14)19)20(26)24-12-15-2-3-17(24)13-23(11-15)16-5-8-27-9-6-16/h4,7,10,15-17H,2-3,5-6,8-9,11-13H2,1H3/t15-,17+/m0/s1
InChIKeyKDLNGDDFUIOETQ-DOTOQJQBSA-N
MW369.47 g/mol
LogP1.75
Rot. Bonds2

About (7-methylpyrazolo[1,5-a]pyrimidin-6-yl)-[(1S,5R)-3-(oxan-4-yl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]methanone

(7-methylpyrazolo[1,5-a]pyrimidin-6-yl)-[(1S,5R)-3-(oxan-4-yl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]methanone (PubChem CID 70758827) has the molecular formula C20H27N5O2 and a molecular weight of 369.47 g/mol. Its IUPAC name is (7-methylpyrazolo[1,5-a]pyrimidin-6-yl)-[(1S,5R)-3-(oxan-4-yl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]methanone.

Molecular Properties

Compound Name(7-methylpyrazolo[1,5-a]pyrimidin-6-yl)-[(1S,5R)-3-(oxan-4-yl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]methanone
PubChem CID70758827
Molecular FormulaC20H27N5O2
Molecular Weight369.47 g/mol
Exact Mass369.22
IUPAC Name(7-methylpyrazolo[1,5-a]pyrimidin-6-yl)-[(1S,5R)-3-(oxan-4-yl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]methanone
SMILESCc1c(C(=O)N2C[C@H]3CC[C@@H]2CN(C2CCOCC2)C3)cnc2ccnn12
InChIInChI=1S/C20H27N5O2/c1-14-18(10-21-19-4-7-22-25(14)19)20(26)24-12-15-2-3-17(24)13-23(11-15)16-5-8-27-9-6-16/h4,7,10,15-17H,2-3,5-6,8-9,11-13H2,1H3/t15-,17+/m0/s1
InChIKeyKDLNGDDFUIOETQ-DOTOQJQBSA-N
XLogP1.75
TPSA62.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (7-methylpyrazolo[1,5-a]pyrimidin-6-yl)-[(1S,5R)-3-(oxan-4-yl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of (7-methylpyrazolo[1,5-a]pyrimidin-6-yl)-[(1S,5R)-3-(oxan-4-yl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]methanone?
The IUPAC name of (7-methylpyrazolo[1,5-a]pyrimidin-6-yl)-[(1S,5R)-3-(oxan-4-yl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]methanone (CID 70758827) is (7-methylpyrazolo[1,5-a]pyrimidin-6-yl)-[(1S,5R)-3-(oxan-4-yl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]methanone.
What is the SMILES notation for (7-methylpyrazolo[1,5-a]pyrimidin-6-yl)-[(1S,5R)-3-(oxan-4-yl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]methanone?
The canonical SMILES for (7-methylpyrazolo[1,5-a]pyrimidin-6-yl)-[(1S,5R)-3-(oxan-4-yl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]methanone is Cc1c(C(=O)N2C[C@H]3CC[C@@H]2CN(C2CCOCC2)C3)cnc2ccnn12.
What is the InChIKey of (7-methylpyrazolo[1,5-a]pyrimidin-6-yl)-[(1S,5R)-3-(oxan-4-yl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]methanone?
The InChIKey is KDLNGDDFUIOETQ-DOTOQJQBSA-N. The full InChI is InChI=1S/C20H27N5O2/c1-14-18(10-21-19-4-7-22-25(14)19)20(26)24-12-15-2-3-17(24)13-23(11-15)16-5-8-27-9-6-16/h4,7,10,15-17H,2-3,5-6,8-9,11-13H2,1H3/t15-,17+/m0/s1.
What are the key properties of (7-methylpyrazolo[1,5-a]pyrimidin-6-yl)-[(1S,5R)-3-(oxan-4-yl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]methanone?
(7-methylpyrazolo[1,5-a]pyrimidin-6-yl)-[(1S,5R)-3-(oxan-4-yl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]methanone has a molecular weight of 369.47 g/mol, XLogP of 1.75, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (7-methylpyrazolo[1,5-a]pyrimidin-6-yl)-[(1S,5R)-3-(oxan-4-yl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]methanone is sourced from PubChem (CID 70758827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).