[3-(1-methylpyrazol-4-yl)-7-oxa-2-azaspiro[3.5]nonan-2-yl]-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)methanone

C25H29N5O3S — CID 167948630

IUPAC[3-(1-methylpyrazol-4-yl)-7-oxa-2-azaspiro[3.5]nonan-2-yl]-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)methanone
SMILESCn1cc(C2N(C(=O)c3sc(N4CCOCC4)nc3-c3ccccc3)CC23CCOCC3)cn1
InChIInChI=1S/C25H29N5O3S/c1-28-16-19(15-26-28)22-25(7-11-32-12-8-25)17-30(22)23(31)21-20(18-5-3-2-4-6-18)27-24(34-21)29-9-13-33-14-10-29/h2-6,15-16,22H,7-14,17H2,1H3
InChIKeyJZLDLWATBJQFNG-UHFFFAOYSA-N
MW479.61 g/mol
LogP3.37
Rot. Bonds4

About [3-(1-methylpyrazol-4-yl)-7-oxa-2-azaspiro[3.5]nonan-2-yl]-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)methanone

[3-(1-methylpyrazol-4-yl)-7-oxa-2-azaspiro[3.5]nonan-2-yl]-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)methanone (PubChem CID 167948630) has the molecular formula C25H29N5O3S and a molecular weight of 479.61 g/mol. Its IUPAC name is [3-(1-methylpyrazol-4-yl)-7-oxa-2-azaspiro[3.5]nonan-2-yl]-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)methanone.

Molecular Properties

Compound Name[3-(1-methylpyrazol-4-yl)-7-oxa-2-azaspiro[3.5]nonan-2-yl]-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)methanone
PubChem CID167948630
Molecular FormulaC25H29N5O3S
Molecular Weight479.61 g/mol
Exact Mass479.20
IUPAC Name[3-(1-methylpyrazol-4-yl)-7-oxa-2-azaspiro[3.5]nonan-2-yl]-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)methanone
SMILESCn1cc(C2N(C(=O)c3sc(N4CCOCC4)nc3-c3ccccc3)CC23CCOCC3)cn1
InChIInChI=1S/C25H29N5O3S/c1-28-16-19(15-26-28)22-25(7-11-32-12-8-25)17-30(22)23(31)21-20(18-5-3-2-4-6-18)27-24(34-21)29-9-13-33-14-10-29/h2-6,15-16,22H,7-14,17H2,1H3
InChIKeyJZLDLWATBJQFNG-UHFFFAOYSA-N
XLogP3.37
TPSA72.72 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.61
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze [3-(1-methylpyrazol-4-yl)-7-oxa-2-azaspiro[3.5]nonan-2-yl]-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-morpholin-4-yl-N-[[(2S)-oxolan-2-yl]methyl]-4-phenyl-1,3-thiazole-5-carboxamide
CID 2144787
(6-chloro-2-pyridinyl)-[(3R)-3-phenyl-7-oxa-2-azaspiro[3.5]nonan-2-yl]methanone
CID 125420218
5-hydroxypentyl 2-morpholin-4-yl-4-phenyl-1,3-thiazole-5-carboxylate
CID 167862109
N'-[2-(furan-2-yl)-4-phenyl-1,3-thiazole-5-carbonyl]-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide
CID 36757551
5-(3-phenyl-7-oxa-2-azaspiro[3.5]nonane-2-carbonyl)thiophene-2-carbonitrile
CID 128719087
[4-(4-methylphenyl)-2-morpholin-4-yl-1,3-thiazol-5-yl]-naphthalen-1-ylmethanone
CID 154732384
N-(2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)-2-morpholin-4-yl-4-phenyl-1,3-thiazole-5-carboxamide;2,2,2-trifluoroacetic acid
CID 167886430
1-(4-phenyl-2-piperazin-1-yl-1,3-thiazol-5-yl)ethanone
CID 52903593
(4-chloro-2-morpholin-4-yl-1,3-thiazol-5-yl)-[(1S,2R,5R)-2-phenyl-3-azabicyclo[3.1.0]hexan-3-yl]methanone
CID 166296587
(4-methyl-2-morpholin-4-yl-1,3-thiazol-5-yl)-(1-methyl-9-oxa-1,4-diazaspiro[5.5]undecan-4-yl)methanone
CID 155492369
[2-(furan-2-yl)-4-phenyl-1,3-thiazol-5-yl]-morpholin-4-ylmethanone
CID 36704275
2-[4-(4-hydroxyphenyl)-2-morpholin-4-yl-1,3-thiazol-5-yl]ethene-1,1,2-tricarbonitrile
CID 15425581

Frequently Asked Questions

What is the IUPAC name of [3-(1-methylpyrazol-4-yl)-7-oxa-2-azaspiro[3.5]nonan-2-yl]-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)methanone?
The IUPAC name of [3-(1-methylpyrazol-4-yl)-7-oxa-2-azaspiro[3.5]nonan-2-yl]-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)methanone (CID 167948630) is [3-(1-methylpyrazol-4-yl)-7-oxa-2-azaspiro[3.5]nonan-2-yl]-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)methanone.
What is the SMILES notation for [3-(1-methylpyrazol-4-yl)-7-oxa-2-azaspiro[3.5]nonan-2-yl]-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)methanone?
The canonical SMILES for [3-(1-methylpyrazol-4-yl)-7-oxa-2-azaspiro[3.5]nonan-2-yl]-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)methanone is Cn1cc(C2N(C(=O)c3sc(N4CCOCC4)nc3-c3ccccc3)CC23CCOCC3)cn1.
What is the InChIKey of [3-(1-methylpyrazol-4-yl)-7-oxa-2-azaspiro[3.5]nonan-2-yl]-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)methanone?
The InChIKey is JZLDLWATBJQFNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O3S/c1-28-16-19(15-26-28)22-25(7-11-32-12-8-25)17-30(22)23(31)21-20(18-5-3-2-4-6-18)27-24(34-21)29-9-13-33-14-10-29/h2-6,15-16,22H,7-14,17H2,1H3.
What are the key properties of [3-(1-methylpyrazol-4-yl)-7-oxa-2-azaspiro[3.5]nonan-2-yl]-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)methanone?
[3-(1-methylpyrazol-4-yl)-7-oxa-2-azaspiro[3.5]nonan-2-yl]-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)methanone has a molecular weight of 479.61 g/mol, XLogP of 3.37, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1-methylpyrazol-4-yl)-7-oxa-2-azaspiro[3.5]nonan-2-yl]-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)methanone is sourced from PubChem (CID 167948630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).