[5-chloro-1-methyl-3-(5-methyl-1,2-oxazol-3-yl)pyrazol-4-yl]-[9-[(4-fluorophenyl)methyl]-3,9-diazaspiro[5.5]undecan-3-yl]methanone

C25H29ClFN5O2 — CID 166083538

IUPAC[5-chloro-1-methyl-3-(5-methyl-1,2-oxazol-3-yl)pyrazol-4-yl]-[9-[(4-fluorophenyl)methyl]-3,9-diazaspiro[5.5]undecan-3-yl]methanone
SMILESCc1cc(-c2nn(C)c(Cl)c2C(=O)N2CCC3(CCN(Cc4ccc(F)cc4)CC3)CC2)no1
InChIInChI=1S/C25H29ClFN5O2/c1-17-15-20(29-34-17)22-21(23(26)30(2)28-22)24(33)32-13-9-25(10-14-32)7-11-31(12-8-25)16-18-3-5-19(27)6-4-18/h3-6,15H,7-14,16H2,1-2H3
InChIKeyGMWWMQIFTVDPBJ-UHFFFAOYSA-N
MW485.99 g/mol
LogP4.69
Rot. Bonds4

About [5-chloro-1-methyl-3-(5-methyl-1,2-oxazol-3-yl)pyrazol-4-yl]-[9-[(4-fluorophenyl)methyl]-3,9-diazaspiro[5.5]undecan-3-yl]methanone

[5-chloro-1-methyl-3-(5-methyl-1,2-oxazol-3-yl)pyrazol-4-yl]-[9-[(4-fluorophenyl)methyl]-3,9-diazaspiro[5.5]undecan-3-yl]methanone (PubChem CID 166083538) has the molecular formula C25H29ClFN5O2 and a molecular weight of 485.99 g/mol. Its IUPAC name is [5-chloro-1-methyl-3-(5-methyl-1,2-oxazol-3-yl)pyrazol-4-yl]-[9-[(4-fluorophenyl)methyl]-3,9-diazaspiro[5.5]undecan-3-yl]methanone.

Molecular Properties

Compound Name[5-chloro-1-methyl-3-(5-methyl-1,2-oxazol-3-yl)pyrazol-4-yl]-[9-[(4-fluorophenyl)methyl]-3,9-diazaspiro[5.5]undecan-3-yl]methanone
PubChem CID166083538
Molecular FormulaC25H29ClFN5O2
Molecular Weight485.99 g/mol
Exact Mass485.20
IUPAC Name[5-chloro-1-methyl-3-(5-methyl-1,2-oxazol-3-yl)pyrazol-4-yl]-[9-[(4-fluorophenyl)methyl]-3,9-diazaspiro[5.5]undecan-3-yl]methanone
SMILESCc1cc(-c2nn(C)c(Cl)c2C(=O)N2CCC3(CCN(Cc4ccc(F)cc4)CC3)CC2)no1
InChIInChI=1S/C25H29ClFN5O2/c1-17-15-20(29-34-17)22-21(23(26)30(2)28-22)24(33)32-13-9-25(10-14-32)7-11-31(12-8-25)16-18-3-5-19(27)6-4-18/h3-6,15H,7-14,16H2,1-2H3
InChIKeyGMWWMQIFTVDPBJ-UHFFFAOYSA-N
XLogP4.69
TPSA67.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.99
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [5-chloro-1-methyl-3-(5-methyl-1,2-oxazol-3-yl)pyrazol-4-yl]-[9-[(4-fluorophenyl)methyl]-3,9-diazaspiro[5.5]undecan-3-yl]methanone?
The IUPAC name of [5-chloro-1-methyl-3-(5-methyl-1,2-oxazol-3-yl)pyrazol-4-yl]-[9-[(4-fluorophenyl)methyl]-3,9-diazaspiro[5.5]undecan-3-yl]methanone (CID 166083538) is [5-chloro-1-methyl-3-(5-methyl-1,2-oxazol-3-yl)pyrazol-4-yl]-[9-[(4-fluorophenyl)methyl]-3,9-diazaspiro[5.5]undecan-3-yl]methanone.
What is the SMILES notation for [5-chloro-1-methyl-3-(5-methyl-1,2-oxazol-3-yl)pyrazol-4-yl]-[9-[(4-fluorophenyl)methyl]-3,9-diazaspiro[5.5]undecan-3-yl]methanone?
The canonical SMILES for [5-chloro-1-methyl-3-(5-methyl-1,2-oxazol-3-yl)pyrazol-4-yl]-[9-[(4-fluorophenyl)methyl]-3,9-diazaspiro[5.5]undecan-3-yl]methanone is Cc1cc(-c2nn(C)c(Cl)c2C(=O)N2CCC3(CCN(Cc4ccc(F)cc4)CC3)CC2)no1.
What is the InChIKey of [5-chloro-1-methyl-3-(5-methyl-1,2-oxazol-3-yl)pyrazol-4-yl]-[9-[(4-fluorophenyl)methyl]-3,9-diazaspiro[5.5]undecan-3-yl]methanone?
The InChIKey is GMWWMQIFTVDPBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29ClFN5O2/c1-17-15-20(29-34-17)22-21(23(26)30(2)28-22)24(33)32-13-9-25(10-14-32)7-11-31(12-8-25)16-18-3-5-19(27)6-4-18/h3-6,15H,7-14,16H2,1-2H3.
What are the key properties of [5-chloro-1-methyl-3-(5-methyl-1,2-oxazol-3-yl)pyrazol-4-yl]-[9-[(4-fluorophenyl)methyl]-3,9-diazaspiro[5.5]undecan-3-yl]methanone?
[5-chloro-1-methyl-3-(5-methyl-1,2-oxazol-3-yl)pyrazol-4-yl]-[9-[(4-fluorophenyl)methyl]-3,9-diazaspiro[5.5]undecan-3-yl]methanone has a molecular weight of 485.99 g/mol, XLogP of 4.69, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-1-methyl-3-(5-methyl-1,2-oxazol-3-yl)pyrazol-4-yl]-[9-[(4-fluorophenyl)methyl]-3,9-diazaspiro[5.5]undecan-3-yl]methanone is sourced from PubChem (CID 166083538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).