4-(1-methylpyrazol-4-yl)-8-(6-methyl-2-pyridinyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one

C18H23N5O3 — CID 118744335

IUPAC4-(1-methylpyrazol-4-yl)-8-(6-methyl-2-pyridinyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one
SMILESCc1cccc(N2CCOCC3(C2)CN(c2cnn(C)c2)C(=O)CO3)n1
InChIInChI=1S/C18H23N5O3/c1-14-4-3-5-16(20-14)22-6-7-25-13-18(11-22)12-23(17(24)10-26-18)15-8-19-21(2)9-15/h3-5,8-9H,6-7,10-13H2,1-2H3
InChIKeyPCSBWMRUFYERDZ-UHFFFAOYSA-N
MW357.41 g/mol
LogP0.76
Rot. Bonds2

About 4-(1-methylpyrazol-4-yl)-8-(6-methyl-2-pyridinyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one

4-(1-methylpyrazol-4-yl)-8-(6-methyl-2-pyridinyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one (PubChem CID 118744335) has the molecular formula C18H23N5O3 and a molecular weight of 357.41 g/mol. Its IUPAC name is 4-(1-methylpyrazol-4-yl)-8-(6-methyl-2-pyridinyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one.

Molecular Properties

Compound Name4-(1-methylpyrazol-4-yl)-8-(6-methyl-2-pyridinyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one
PubChem CID118744335
Molecular FormulaC18H23N5O3
Molecular Weight357.41 g/mol
Exact Mass357.18
IUPAC Name4-(1-methylpyrazol-4-yl)-8-(6-methyl-2-pyridinyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one
SMILESCc1cccc(N2CCOCC3(C2)CN(c2cnn(C)c2)C(=O)CO3)n1
InChIInChI=1S/C18H23N5O3/c1-14-4-3-5-16(20-14)22-6-7-25-13-18(11-22)12-23(17(24)10-26-18)15-8-19-21(2)9-15/h3-5,8-9H,6-7,10-13H2,1-2H3
InChIKeyPCSBWMRUFYERDZ-UHFFFAOYSA-N
XLogP0.76
TPSA72.72 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 50.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-(2-Methoxyethyl)-3-(2-pyrazol-1-yl-3-pyridinyl)-1-(pyridin-2-ylmethyl)urea
CID 47050034
1-(1-Morpholin-4-ylpropan-2-yl)-3-(2-pyrazol-1-yl-3-pyridinyl)urea
CID 53505630
8-[5-(3,5-Dimethylpyrazol-1-yl)-2-pyridinyl]-3-methyl-1,4-dioxa-8-azaspiro[4.5]decane
CID 71922524
8-[5-(3,5-Dimethylpyrazol-1-yl)-2-pyridinyl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 71925336
4-(1-Methylpyrazol-4-yl)-9-[(6-methyl-2-pyridinyl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 97451120
2-methoxy-1-[8-methyl-1-(2-pyrazol-1-ylethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl]ethanone
CID 97469192
8-(6-Methyl-2-pyridinyl)-4-pyridin-3-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one
CID 118740699
8-(6-Methyl-2-pyridinyl)-4-pyrimidin-5-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one
CID 118740701
5-Methyl-4-(1-methylpyrazol-4-yl)-9-pyridin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 118744406
4-(1-Methylpyrazol-4-yl)-8-(pyridin-2-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one
CID 118745183
2-methoxy-N-(6-pyrazol-1-ylpyridin-3-yl)acetamide
CID 39977157
1-(1-Ethylpyrazol-4-yl)-3-[(2-morpholin-4-yl-3-pyridinyl)methyl]urea
CID 45821361

Frequently Asked Questions

What is the IUPAC name of 4-(1-methylpyrazol-4-yl)-8-(6-methyl-2-pyridinyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one?
The IUPAC name of 4-(1-methylpyrazol-4-yl)-8-(6-methyl-2-pyridinyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one (CID 118744335) is 4-(1-methylpyrazol-4-yl)-8-(6-methyl-2-pyridinyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one.
What is the SMILES notation for 4-(1-methylpyrazol-4-yl)-8-(6-methyl-2-pyridinyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one?
The canonical SMILES for 4-(1-methylpyrazol-4-yl)-8-(6-methyl-2-pyridinyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one is Cc1cccc(N2CCOCC3(C2)CN(c2cnn(C)c2)C(=O)CO3)n1.
What is the InChIKey of 4-(1-methylpyrazol-4-yl)-8-(6-methyl-2-pyridinyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one?
The InChIKey is PCSBWMRUFYERDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O3/c1-14-4-3-5-16(20-14)22-6-7-25-13-18(11-22)12-23(17(24)10-26-18)15-8-19-21(2)9-15/h3-5,8-9H,6-7,10-13H2,1-2H3.
What are the key properties of 4-(1-methylpyrazol-4-yl)-8-(6-methyl-2-pyridinyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one?
4-(1-methylpyrazol-4-yl)-8-(6-methyl-2-pyridinyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one has a molecular weight of 357.41 g/mol, XLogP of 0.76, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methylpyrazol-4-yl)-8-(6-methyl-2-pyridinyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one is sourced from PubChem (CID 118744335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).