(2-methylpyrazol-3-yl)-[(5R,9R)-9-(pyridin-2-ylamino)-6-oxa-2-azaspiro[4.5]decan-2-yl]methanone

C18H23N5O2 — CID 97477782

IUPAC(2-methylpyrazol-3-yl)-[(5R,9R)-9-(pyridin-2-ylamino)-6-oxa-2-azaspiro[4.5]decan-2-yl]methanone
SMILESCn1nccc1C(=O)N1CC[C@@]2(C[C@H](Nc3ccccn3)CCO2)C1
InChIInChI=1S/C18H23N5O2/c1-22-15(5-9-20-22)17(24)23-10-7-18(13-23)12-14(6-11-25-18)21-16-4-2-3-8-19-16/h2-5,8-9,14H,6-7,10-13H2,1H3,(H,19,21)/t14-,18-/m1/s1
InChIKeyWZXNRJKJNUOQRL-RDTXWAMCSA-N
MW341.41 g/mol
LogP1.69
Rot. Bonds3

About (2-methylpyrazol-3-yl)-[(5R,9R)-9-(pyridin-2-ylamino)-6-oxa-2-azaspiro[4.5]decan-2-yl]methanone

(2-methylpyrazol-3-yl)-[(5R,9R)-9-(pyridin-2-ylamino)-6-oxa-2-azaspiro[4.5]decan-2-yl]methanone (PubChem CID 97477782) has the molecular formula C18H23N5O2 and a molecular weight of 341.41 g/mol. Its IUPAC name is (2-methylpyrazol-3-yl)-[(5R,9R)-9-(pyridin-2-ylamino)-6-oxa-2-azaspiro[4.5]decan-2-yl]methanone.

Molecular Properties

Compound Name(2-methylpyrazol-3-yl)-[(5R,9R)-9-(pyridin-2-ylamino)-6-oxa-2-azaspiro[4.5]decan-2-yl]methanone
PubChem CID97477782
Molecular FormulaC18H23N5O2
Molecular Weight341.41 g/mol
Exact Mass341.19
IUPAC Name(2-methylpyrazol-3-yl)-[(5R,9R)-9-(pyridin-2-ylamino)-6-oxa-2-azaspiro[4.5]decan-2-yl]methanone
SMILESCn1nccc1C(=O)N1CC[C@@]2(C[C@H](Nc3ccccn3)CCO2)C1
InChIInChI=1S/C18H23N5O2/c1-22-15(5-9-20-22)17(24)23-10-7-18(13-23)12-14(6-11-25-18)21-16-4-2-3-8-19-16/h2-5,8-9,14H,6-7,10-13H2,1H3,(H,19,21)/t14-,18-/m1/s1
InChIKeyWZXNRJKJNUOQRL-RDTXWAMCSA-N
XLogP1.69
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

phenyl-[(5S,9S)-9-(pyridin-2-ylamino)-6-oxa-2-azaspiro[4.5]decan-2-yl]methanone
CID 124803332
(3,3-difluorocyclobutyl)-[(5R,9R)-9-(pyridin-2-ylamino)-6-oxa-2-azaspiro[4.5]decan-2-yl]methanone
CID 131690340
[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]-[(5R,9R)-9-(pyridin-2-ylamino)-6-oxa-2-azaspiro[4.5]decan-2-yl]methanone
CID 131689946
3-methylsulfonyl-1-[(5R,9R)-9-(pyridin-2-ylamino)-6-oxa-2-azaspiro[4.5]decan-2-yl]propan-1-one
CID 131690057
(6-methyl-2-pyridinyl)-[(5R,9R)-9-(pyridin-2-ylamino)-6-oxa-2-azaspiro[4.5]decan-2-yl]methanone;2,2,2-trifluoroacetic acid
CID 171693066
(5R,9R)-N-pyridin-2-yl-2-pyrimidin-2-yl-6-oxa-2-azaspiro[4.5]decan-9-amine
CID 97475455
(5R,9R)-2-(cyclopropylmethyl)-N-pyridin-2-yl-6-oxa-2-azaspiro[4.5]decan-9-amine
CID 97477327
(5S,9S)-2-(cyclopropylmethyl)-N-pyridin-2-yl-6-oxa-2-azaspiro[4.5]decan-9-amine
CID 124910174
pyridazin-4-yl-[(5S,9R)-9-(pyrimidin-2-ylamino)-6-oxa-2-azaspiro[4.5]decan-2-yl]methanone
CID 124792019
(3S,5R)-N-cyclopropyl-3-(pyridin-2-ylamino)-1-oxa-7-azaspiro[4.4]nonane-7-carboxamide
CID 97486079
N-cyclopropyl-3-(pyridin-2-ylamino)-1-oxa-7-azaspiro[4.4]nonane-7-carboxamide
CID 131639657
(5R,9R)-2-[(2-methoxy-3-pyridinyl)methyl]-N-pyridin-2-yl-6-oxa-2-azaspiro[4.5]decan-9-amine
CID 97475999

Frequently Asked Questions

What is the IUPAC name of (2-methylpyrazol-3-yl)-[(5R,9R)-9-(pyridin-2-ylamino)-6-oxa-2-azaspiro[4.5]decan-2-yl]methanone?
The IUPAC name of (2-methylpyrazol-3-yl)-[(5R,9R)-9-(pyridin-2-ylamino)-6-oxa-2-azaspiro[4.5]decan-2-yl]methanone (CID 97477782) is (2-methylpyrazol-3-yl)-[(5R,9R)-9-(pyridin-2-ylamino)-6-oxa-2-azaspiro[4.5]decan-2-yl]methanone.
What is the SMILES notation for (2-methylpyrazol-3-yl)-[(5R,9R)-9-(pyridin-2-ylamino)-6-oxa-2-azaspiro[4.5]decan-2-yl]methanone?
The canonical SMILES for (2-methylpyrazol-3-yl)-[(5R,9R)-9-(pyridin-2-ylamino)-6-oxa-2-azaspiro[4.5]decan-2-yl]methanone is Cn1nccc1C(=O)N1CC[C@@]2(C[C@H](Nc3ccccn3)CCO2)C1.
What is the InChIKey of (2-methylpyrazol-3-yl)-[(5R,9R)-9-(pyridin-2-ylamino)-6-oxa-2-azaspiro[4.5]decan-2-yl]methanone?
The InChIKey is WZXNRJKJNUOQRL-RDTXWAMCSA-N. The full InChI is InChI=1S/C18H23N5O2/c1-22-15(5-9-20-22)17(24)23-10-7-18(13-23)12-14(6-11-25-18)21-16-4-2-3-8-19-16/h2-5,8-9,14H,6-7,10-13H2,1H3,(H,19,21)/t14-,18-/m1/s1.
What are the key properties of (2-methylpyrazol-3-yl)-[(5R,9R)-9-(pyridin-2-ylamino)-6-oxa-2-azaspiro[4.5]decan-2-yl]methanone?
(2-methylpyrazol-3-yl)-[(5R,9R)-9-(pyridin-2-ylamino)-6-oxa-2-azaspiro[4.5]decan-2-yl]methanone has a molecular weight of 341.41 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylpyrazol-3-yl)-[(5R,9R)-9-(pyridin-2-ylamino)-6-oxa-2-azaspiro[4.5]decan-2-yl]methanone is sourced from PubChem (CID 97477782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).