4-(1-methylpyrazol-4-yl)-9-[(6-methyl-2-pyridinyl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

C19H25N5O2 — CID 97451120

IUPAC4-(1-methylpyrazol-4-yl)-9-[(6-methyl-2-pyridinyl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESCc1cccc(CN2CCC3(CC2)CN(c2cnn(C)c2)C(=O)CO3)n1
InChIInChI=1S/C19H25N5O2/c1-15-4-3-5-16(21-15)11-23-8-6-19(7-9-23)14-24(18(25)13-26-19)17-10-20-22(2)12-17/h3-5,10,12H,6-9,11,13-14H2,1-2H3
InChIKeyIXXAGBGHKNOOGT-UHFFFAOYSA-N
MW355.44 g/mol
LogP1.52
Rot. Bonds3

About 4-(1-methylpyrazol-4-yl)-9-[(6-methyl-2-pyridinyl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

4-(1-methylpyrazol-4-yl)-9-[(6-methyl-2-pyridinyl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (PubChem CID 97451120) has the molecular formula C19H25N5O2 and a molecular weight of 355.44 g/mol. Its IUPAC name is 4-(1-methylpyrazol-4-yl)-9-[(6-methyl-2-pyridinyl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name4-(1-methylpyrazol-4-yl)-9-[(6-methyl-2-pyridinyl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
PubChem CID97451120
Molecular FormulaC19H25N5O2
Molecular Weight355.44 g/mol
Exact Mass355.20
IUPAC Name4-(1-methylpyrazol-4-yl)-9-[(6-methyl-2-pyridinyl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESCc1cccc(CN2CCC3(CC2)CN(c2cnn(C)c2)C(=O)CO3)n1
InChIInChI=1S/C19H25N5O2/c1-15-4-3-5-16(21-15)11-23-8-6-19(7-9-23)14-24(18(25)13-26-19)17-10-20-22(2)12-17/h3-5,10,12H,6-9,11,13-14H2,1-2H3
InChIKeyIXXAGBGHKNOOGT-UHFFFAOYSA-N
XLogP1.52
TPSA63.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(1-methylpyrazol-4-yl)-9-[(6-methyl-2-pyridinyl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 4-(1-methylpyrazol-4-yl)-9-[(6-methyl-2-pyridinyl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (CID 97451120) is 4-(1-methylpyrazol-4-yl)-9-[(6-methyl-2-pyridinyl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 4-(1-methylpyrazol-4-yl)-9-[(6-methyl-2-pyridinyl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 4-(1-methylpyrazol-4-yl)-9-[(6-methyl-2-pyridinyl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is Cc1cccc(CN2CCC3(CC2)CN(c2cnn(C)c2)C(=O)CO3)n1.
What is the InChIKey of 4-(1-methylpyrazol-4-yl)-9-[(6-methyl-2-pyridinyl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is IXXAGBGHKNOOGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O2/c1-15-4-3-5-16(21-15)11-23-8-6-19(7-9-23)14-24(18(25)13-26-19)17-10-20-22(2)12-17/h3-5,10,12H,6-9,11,13-14H2,1-2H3.
What are the key properties of 4-(1-methylpyrazol-4-yl)-9-[(6-methyl-2-pyridinyl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
4-(1-methylpyrazol-4-yl)-9-[(6-methyl-2-pyridinyl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 355.44 g/mol, XLogP of 1.52, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methylpyrazol-4-yl)-9-[(6-methyl-2-pyridinyl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 97451120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).